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Avogadro

diff --git a/contrib/code.html b/contrib/code.html index b9bde0b0..12229d79 100644 --- a/contrib/code.html +++ b/contrib/code.html @@ -8,7 +8,7 @@ - Contributing Code — Avogadro 1.98.1 documentation + Contributing Code — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/contrib/contributors.html b/contrib/contributors.html index bc5969a2..fbf8fc23 100644 --- a/contrib/contributors.html +++ b/contrib/contributors.html @@ -8,7 +8,7 @@ - <no title> — Avogadro 1.98.1 documentation + <no title> — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

Avogadro

diff --git a/contrib/conventions.html b/contrib/conventions.html index b1c49255..664709bb 100644 --- a/contrib/conventions.html +++ b/contrib/conventions.html @@ -8,7 +8,7 @@ - Coding Conventions (C++) — Avogadro 1.98.1 documentation + Coding Conventions (C++) — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/contrib/credits.html b/contrib/credits.html index 540c3871..df370e58 100644 --- a/contrib/credits.html +++ b/contrib/credits.html @@ -8,7 +8,7 @@ - Thanks — Avogadro 1.98.1 documentation + Thanks — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/contrib/index.html b/contrib/index.html index 6cb50231..6bea355a 100644 --- a/contrib/index.html +++ b/contrib/index.html @@ -8,7 +8,7 @@ - Contribute — Avogadro 1.98.1 documentation + Contribute — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/contrib/style.html b/contrib/style.html index 697ed4d5..7530324d 100644 --- a/contrib/style.html +++ b/contrib/style.html @@ -8,7 +8,7 @@ - Coding Style (C++) — Avogadro 1.98.1 documentation + Coding Style (C++) — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/contrib/translate.html b/contrib/translate.html index 5bf7577a..92fe3a50 100644 --- a/contrib/translate.html +++ b/contrib/translate.html @@ -8,7 +8,7 @@ - Translations — Avogadro 1.98.1 documentation + Translations — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_array.html b/develop/class/class_avogadro_1_1_core_1_1_array.html index 369f28f5..6ee94b18 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_array.html +++ b/develop/class/class_avogadro_1_1_core_1_1_array.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Array — Avogadro 1.98.1 documentation + Class Avogadro::Core::Array — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_array_set.html b/develop/class/class_avogadro_1_1_core_1_1_array_set.html index dc2f0aa9..e4b780fb 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_array_set.html +++ b/develop/class/class_avogadro_1_1_core_1_1_array_set.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::ArraySet — Avogadro 1.98.1 documentation + Class Avogadro::Core::ArraySet — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_holder.html b/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_holder.html index bc638302..a6b000c0 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_holder.html +++ b/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_holder.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::ArraySet::Holder — Avogadro 1.98.1 documentation + Class Avogadro::Core::ArraySet::Holder — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_place_holder.html b/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_place_holder.html index 251b5c0d..4c319c62 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_place_holder.html +++ b/develop/class/class_avogadro_1_1_core_1_1_array_set_1_1_place_holder.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::ArraySet::PlaceHolder — Avogadro 1.98.1 documentation + Class Avogadro::Core::ArraySet::PlaceHolder — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_atom.html b/develop/class/class_avogadro_1_1_core_1_1_atom.html index 9fa919e5..abd464be 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_atom.html +++ b/develop/class/class_avogadro_1_1_core_1_1_atom.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Atom — Avogadro 1.98.1 documentation + Class Avogadro::Core::Atom — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_atom_template.html b/develop/class/class_avogadro_1_1_core_1_1_atom_template.html index 4462f206..cd57c9f0 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_atom_template.html +++ b/develop/class/class_avogadro_1_1_core_1_1_atom_template.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::AtomTemplate — Avogadro 1.98.1 documentation + Class Avogadro::Core::AtomTemplate — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_atom_typer.html b/develop/class/class_avogadro_1_1_core_1_1_atom_typer.html index 6d567b94..55fa27bb 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_atom_typer.html +++ b/develop/class/class_avogadro_1_1_core_1_1_atom_typer.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::AtomTyper — Avogadro 1.98.1 documentation + Class Avogadro::Core::AtomTyper — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_avo_spglib.html b/develop/class/class_avogadro_1_1_core_1_1_avo_spglib.html index b9c1fd5f..1967d569 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_avo_spglib.html +++ b/develop/class/class_avogadro_1_1_core_1_1_avo_spglib.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::AvoSpglib — Avogadro 1.98.1 documentation + Class Avogadro::Core::AvoSpglib — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_basis_set.html b/develop/class/class_avogadro_1_1_core_1_1_basis_set.html index ff1edf0b..79cf6674 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_basis_set.html +++ b/develop/class/class_avogadro_1_1_core_1_1_basis_set.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::BasisSet — Avogadro 1.98.1 documentation + Class Avogadro::Core::BasisSet — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_bond.html b/develop/class/class_avogadro_1_1_core_1_1_bond.html index 8d7e3832..526e258d 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_bond.html +++ b/develop/class/class_avogadro_1_1_core_1_1_bond.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Bond — Avogadro 1.98.1 documentation + Class Avogadro::Core::Bond — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_bond_template.html b/develop/class/class_avogadro_1_1_core_1_1_bond_template.html index 1de646ff..660dced1 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_bond_template.html +++ b/develop/class/class_avogadro_1_1_core_1_1_bond_template.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::BondTemplate — Avogadro 1.98.1 documentation + Class Avogadro::Core::BondTemplate — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_color3f.html b/develop/class/class_avogadro_1_1_core_1_1_color3f.html index e7b4c5a3..9cfab8f1 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_color3f.html +++ b/develop/class/class_avogadro_1_1_core_1_1_color3f.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Color3f — Avogadro 1.98.1 documentation + Class Avogadro::Core::Color3f — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_coordinate_block_generator.html b/develop/class/class_avogadro_1_1_core_1_1_coordinate_block_generator.html index 2a6e4ab5..edef8643 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_coordinate_block_generator.html +++ b/develop/class/class_avogadro_1_1_core_1_1_coordinate_block_generator.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::CoordinateBlockGenerator — Avogadro 1.98.1 documentation + Class Avogadro::Core::CoordinateBlockGenerator — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_coordinate_set.html b/develop/class/class_avogadro_1_1_core_1_1_coordinate_set.html index f5c7f697..b8696316 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_coordinate_set.html +++ b/develop/class/class_avogadro_1_1_core_1_1_coordinate_set.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::CoordinateSet — Avogadro 1.98.1 documentation + Class Avogadro::Core::CoordinateSet — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_crystal_tools.html b/develop/class/class_avogadro_1_1_core_1_1_crystal_tools.html index da268cad..e28091bc 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_crystal_tools.html +++ b/develop/class/class_avogadro_1_1_core_1_1_crystal_tools.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::CrystalTools — Avogadro 1.98.1 documentation + Class Avogadro::Core::CrystalTools — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_cube.html b/develop/class/class_avogadro_1_1_core_1_1_cube.html index fc48a60f..df582631 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_cube.html +++ b/develop/class/class_avogadro_1_1_core_1_1_cube.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Cube — Avogadro 1.98.1 documentation + Class Avogadro::Core::Cube — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_elements.html b/develop/class/class_avogadro_1_1_core_1_1_elements.html index 680cb6d4..04d9d9fe 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_elements.html +++ b/develop/class/class_avogadro_1_1_core_1_1_elements.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Elements — Avogadro 1.98.1 documentation + Class Avogadro::Core::Elements — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_gaussian_set.html b/develop/class/class_avogadro_1_1_core_1_1_gaussian_set.html index 6383839a..0a188bb4 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_gaussian_set.html +++ b/develop/class/class_avogadro_1_1_core_1_1_gaussian_set.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::GaussianSet — Avogadro 1.98.1 documentation + Class Avogadro::Core::GaussianSet — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_gaussian_set_tools.html b/develop/class/class_avogadro_1_1_core_1_1_gaussian_set_tools.html index 91ff8c2e..e469cacb 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_gaussian_set_tools.html +++ b/develop/class/class_avogadro_1_1_core_1_1_gaussian_set_tools.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::GaussianSetTools — Avogadro 1.98.1 documentation + Class Avogadro::Core::GaussianSetTools — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_graph.html b/develop/class/class_avogadro_1_1_core_1_1_graph.html index 467cd529..95f188ba 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_graph.html +++ b/develop/class/class_avogadro_1_1_core_1_1_graph.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Graph — Avogadro 1.98.1 documentation + Class Avogadro::Core::Graph — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_mesh.html b/develop/class/class_avogadro_1_1_core_1_1_mesh.html index f0d90226..ac78ed0a 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_mesh.html +++ b/develop/class/class_avogadro_1_1_core_1_1_mesh.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Mesh — Avogadro 1.98.1 documentation + Class Avogadro::Core::Mesh — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_molecule.html b/develop/class/class_avogadro_1_1_core_1_1_molecule.html index 7b0f8b1c..51710b26 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_molecule.html +++ b/develop/class/class_avogadro_1_1_core_1_1_molecule.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Molecule — Avogadro 1.98.1 documentation + Class Avogadro::Core::Molecule — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_molecule_deserializer.html b/develop/class/class_avogadro_1_1_core_1_1_molecule_deserializer.html index 951a68b5..c7a5d407 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_molecule_deserializer.html +++ b/develop/class/class_avogadro_1_1_core_1_1_molecule_deserializer.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::MoleculeDeserializer — Avogadro 1.98.1 documentation + Class Avogadro::Core::MoleculeDeserializer — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_molecule_serializer.html b/develop/class/class_avogadro_1_1_core_1_1_molecule_serializer.html index b8dff298..af49d3ac 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_molecule_serializer.html +++ b/develop/class/class_avogadro_1_1_core_1_1_molecule_serializer.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::MoleculeSerializer — Avogadro 1.98.1 documentation + Class Avogadro::Core::MoleculeSerializer — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_mutex.html b/develop/class/class_avogadro_1_1_core_1_1_mutex.html index 285fec97..c2594b7d 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_mutex.html +++ b/develop/class/class_avogadro_1_1_core_1_1_mutex.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Mutex — Avogadro 1.98.1 documentation + Class Avogadro::Core::Mutex — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_name_atom_typer.html b/develop/class/class_avogadro_1_1_core_1_1_name_atom_typer.html index 204e96ae..7df3f288 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_name_atom_typer.html +++ b/develop/class/class_avogadro_1_1_core_1_1_name_atom_typer.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::NameAtomTyper — Avogadro 1.98.1 documentation + Class Avogadro::Core::NameAtomTyper — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_residue.html b/develop/class/class_avogadro_1_1_core_1_1_residue.html index 964e872e..65917080 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_residue.html +++ b/develop/class/class_avogadro_1_1_core_1_1_residue.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Residue — Avogadro 1.98.1 documentation + Class Avogadro::Core::Residue — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_residue_data.html b/develop/class/class_avogadro_1_1_core_1_1_residue_data.html index eba3eb3d..9e4472e3 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_residue_data.html +++ b/develop/class/class_avogadro_1_1_core_1_1_residue_data.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::ResidueData — Avogadro 1.98.1 documentation + Class Avogadro::Core::ResidueData — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_ring_perceiver.html b/develop/class/class_avogadro_1_1_core_1_1_ring_perceiver.html index 332287d3..7bbe2bfd 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_ring_perceiver.html +++ b/develop/class/class_avogadro_1_1_core_1_1_ring_perceiver.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::RingPerceiver — Avogadro 1.98.1 documentation + Class Avogadro::Core::RingPerceiver — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_shared_mutex.html b/develop/class/class_avogadro_1_1_core_1_1_shared_mutex.html index 741c8c67..909160a6 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_shared_mutex.html +++ b/develop/class/class_avogadro_1_1_core_1_1_shared_mutex.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::SharedMutex — Avogadro 1.98.1 documentation + Class Avogadro::Core::SharedMutex — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_slater_set.html b/develop/class/class_avogadro_1_1_core_1_1_slater_set.html index eabbf12f..3bee0412 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_slater_set.html +++ b/develop/class/class_avogadro_1_1_core_1_1_slater_set.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::SlaterSet — Avogadro 1.98.1 documentation + Class Avogadro::Core::SlaterSet — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_slater_set_tools.html b/develop/class/class_avogadro_1_1_core_1_1_slater_set_tools.html index 9f034dae..2c8546d4 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_slater_set_tools.html +++ b/develop/class/class_avogadro_1_1_core_1_1_slater_set_tools.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::SlaterSetTools — Avogadro 1.98.1 documentation + Class Avogadro::Core::SlaterSetTools — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_space_groups.html b/develop/class/class_avogadro_1_1_core_1_1_space_groups.html index f5e73fc8..540faad7 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_space_groups.html +++ b/develop/class/class_avogadro_1_1_core_1_1_space_groups.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::SpaceGroups — Avogadro 1.98.1 documentation + Class Avogadro::Core::SpaceGroups — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_symbol_atom_typer.html b/develop/class/class_avogadro_1_1_core_1_1_symbol_atom_typer.html index 27853643..0c49c561 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_symbol_atom_typer.html +++ b/develop/class/class_avogadro_1_1_core_1_1_symbol_atom_typer.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::SymbolAtomTyper — Avogadro 1.98.1 documentation + Class Avogadro::Core::SymbolAtomTyper — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_unit_cell.html b/develop/class/class_avogadro_1_1_core_1_1_unit_cell.html index e082a994..9e6585c7 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_unit_cell.html +++ b/develop/class/class_avogadro_1_1_core_1_1_unit_cell.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::UnitCell — Avogadro 1.98.1 documentation + Class Avogadro::Core::UnitCell — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_variant.html b/develop/class/class_avogadro_1_1_core_1_1_variant.html index abee7cee..df6acb74 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_variant.html +++ b/develop/class/class_avogadro_1_1_core_1_1_variant.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::Variant — Avogadro 1.98.1 documentation + Class Avogadro::Core::Variant — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1_variant_map.html b/develop/class/class_avogadro_1_1_core_1_1_variant_map.html index 825b388e..83e23846 100644 --- a/develop/class/class_avogadro_1_1_core_1_1_variant_map.html +++ b/develop/class/class_avogadro_1_1_core_1_1_variant_map.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::VariantMap — Avogadro 1.98.1 documentation + Class Avogadro::Core::VariantMap — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_core_1_1internal_1_1_array_ref_container.html b/develop/class/class_avogadro_1_1_core_1_1internal_1_1_array_ref_container.html index c3acd1a6..132c24dd 100644 --- a/develop/class/class_avogadro_1_1_core_1_1internal_1_1_array_ref_container.html +++ b/develop/class/class_avogadro_1_1_core_1_1internal_1_1_array_ref_container.html @@ -8,7 +8,7 @@ - Class Avogadro::Core::internal::ArrayRefContainer — Avogadro 1.98.1 documentation + Class Avogadro::Core::internal::ArrayRefContainer — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_cjson_format.html b/develop/class/class_avogadro_1_1_io_1_1_cjson_format.html index 006f6ea1..09abf580 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_cjson_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_cjson_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::CjsonFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::CjsonFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_cml_format.html b/develop/class/class_avogadro_1_1_io_1_1_cml_format.html index 4f1e5ffc..0065c09c 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_cml_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_cml_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::CmlFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::CmlFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_dcd_format.html b/develop/class/class_avogadro_1_1_io_1_1_dcd_format.html index 55e35afc..00e7473a 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_dcd_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_dcd_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::DcdFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::DcdFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_file_format.html b/develop/class/class_avogadro_1_1_io_1_1_file_format.html index 925f7725..f2081092 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_file_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_file_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::FileFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::FileFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_file_format_manager.html b/develop/class/class_avogadro_1_1_io_1_1_file_format_manager.html index 4f58c37f..64100c1f 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_file_format_manager.html +++ b/develop/class/class_avogadro_1_1_io_1_1_file_format_manager.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::FileFormatManager — Avogadro 1.98.1 documentation + Class Avogadro::Io::FileFormatManager — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_gromacs_format.html b/develop/class/class_avogadro_1_1_io_1_1_gromacs_format.html index 393437ad..475c9ab8 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_gromacs_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_gromacs_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::GromacsFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::GromacsFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_hdf5_data_format.html b/develop/class/class_avogadro_1_1_io_1_1_hdf5_data_format.html index 7435ba8e..fa70a8a1 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_hdf5_data_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_hdf5_data_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::Hdf5DataFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::Hdf5DataFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_lammps_data_format.html b/develop/class/class_avogadro_1_1_io_1_1_lammps_data_format.html index b573c899..1d35bbd8 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_lammps_data_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_lammps_data_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::LammpsDataFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::LammpsDataFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_lammps_trajectory_format.html b/develop/class/class_avogadro_1_1_io_1_1_lammps_trajectory_format.html index 0c62abf9..fb9a1427 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_lammps_trajectory_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_lammps_trajectory_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::LammpsTrajectoryFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::LammpsTrajectoryFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_m_m_t_f_format.html b/develop/class/class_avogadro_1_1_io_1_1_m_m_t_f_format.html index 1ba7ca95..012c9b90 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_m_m_t_f_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_m_m_t_f_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::MMTFFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::MMTFFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_mdl_format.html b/develop/class/class_avogadro_1_1_io_1_1_mdl_format.html index 9841c8b5..b749a0e8 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_mdl_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_mdl_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::MdlFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::MdlFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_outcar_format.html b/develop/class/class_avogadro_1_1_io_1_1_outcar_format.html index c8909f9e..eafe1a81 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_outcar_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_outcar_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::OutcarFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::OutcarFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_pdb_format.html b/develop/class/class_avogadro_1_1_io_1_1_pdb_format.html index ab6d76b2..58e0e46f 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_pdb_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_pdb_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::PdbFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::PdbFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_poscar_format.html b/develop/class/class_avogadro_1_1_io_1_1_poscar_format.html index 807e70cf..50058b0f 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_poscar_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_poscar_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::PoscarFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::PoscarFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_trr_format.html b/develop/class/class_avogadro_1_1_io_1_1_trr_format.html index 0c109fa3..17a2ab5d 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_trr_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_trr_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::TrrFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::TrrFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_io_1_1_xyz_format.html b/develop/class/class_avogadro_1_1_io_1_1_xyz_format.html index a31acb6a..7c98de10 100644 --- a/develop/class/class_avogadro_1_1_io_1_1_xyz_format.html +++ b/develop/class/class_avogadro_1_1_io_1_1_xyz_format.html @@ -8,7 +8,7 @@ - Class Avogadro::Io::XyzFormat — Avogadro 1.98.1 documentation + Class Avogadro::Io::XyzFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_batch_job.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_batch_job.html index b9ab7f2c..c4aecc78 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_batch_job.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_batch_job.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::BatchJob — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::BatchJob — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator.html index 14689fcd..6e004610 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::InputGenerator — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::InputGenerator — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_dialog.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_dialog.html index f35e1c02..af0f537a 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_dialog.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_dialog.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::InputGeneratorDialog — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::InputGeneratorDialog — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_widget.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_widget.html index aa6c54b7..e49db499 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_widget.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_input_generator_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::InputGeneratorWidget — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::InputGeneratorWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_dialog.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_dialog.html index 1e40bed8..2bf2fb6e 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_dialog.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_dialog.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::MoleQueueDialog — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::MoleQueueDialog — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_manager.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_manager.html index 65ff5c6a..e292dfc4 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_manager.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_manager.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::MoleQueueManager — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::MoleQueueManager — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_queue_list_model.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_queue_list_model.html index 5def7de2..cf23ae77 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_queue_list_model.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_queue_list_model.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::MoleQueueQueueListModel — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::MoleQueueQueueListModel — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_widget.html b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_widget.html index 90a86e51..7f576945 100644 --- a/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_widget.html +++ b/develop/class/class_avogadro_1_1_mole_queue_1_1_mole_queue_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::MoleQueue::MoleQueueWidget — Avogadro 1.98.1 documentation + Class Avogadro::MoleQueue::MoleQueueWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_background_file_format.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_background_file_format.html index 61fdbdf6..e6a1b069 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_background_file_format.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_background_file_format.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::BackgroundFileFormat — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::BackgroundFileFormat — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_container_widget.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_container_widget.html index 5ba1ae18..1a073d82 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_container_widget.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_container_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ContainerWidget — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ContainerWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_custom_element_dialog.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_custom_element_dialog.html index 4736aeaa..7d7972a7 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_custom_element_dialog.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_custom_element_dialog.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::CustomElementDialog — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::CustomElementDialog — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_element_detail.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_element_detail.html index a143f33e..f35fe96b 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_element_detail.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_element_detail.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ElementDetail — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ElementDetail — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_element_item.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_element_item.html index 5127e20a..3f30c054 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_element_item.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_element_item.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ElementItem — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ElementItem — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_element_translator.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_element_translator.html index 7769442e..5a049b07 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_element_translator.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_element_translator.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ElementTranslator — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ElementTranslator — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin.html index 3f209e5b..1c0af64e 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ExtensionPlugin — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ExtensionPlugin — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

@@ -674,7 +682,7 @@

Class Avogadro::QtGui::ExtensionPlugin
void requestActiveDisplayTypes(QStringList displayTypes)#
-

Request a specific display type (or types) are active, and all others are disabled. This can be useful when loading a specific type of data that would be most readily viewed with a specialized view.

+

Request a specific display type (or types) are made active. This can be useful when loading a specific type of data that would be most readily viewed with a specialized view.

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin_factory.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin_factory.html index 61ecde71..92504a2d 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin_factory.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_extension_plugin_factory.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ExtensionPluginFactory — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ExtensionPluginFactory — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_file_browse_widget.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_file_browse_widget.html index 79754108..e353cf12 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_file_browse_widget.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_file_browse_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::FileBrowseWidget — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::FileBrowseWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_file_format_dialog.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_file_format_dialog.html index d47c3af0..9517ad25 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_file_format_dialog.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_file_format_dialog.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::FileFormatDialog — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::FileFormatDialog — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter.html index 7f0dd4aa..206a893d 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::GenericHighlighter — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::GenericHighlighter — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter_1_1_rule.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter_1_1_rule.html index 12225e26..ea4fc93b 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter_1_1_rule.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_generic_highlighter_1_1_rule.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::GenericHighlighter::Rule — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::GenericHighlighter::Rule — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_hydrogen_tools.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_hydrogen_tools.html index 2934755d..ce19b821 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_hydrogen_tools.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_hydrogen_tools.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::HydrogenTools — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::HydrogenTools — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_script.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_script.html index ee2dadbe..6ce8f112 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_script.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_script.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::InterfaceScript — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::InterfaceScript — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_widget.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_widget.html index 85ff7058..b3c6394d 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_widget.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_interface_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::InterfaceWidget — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::InterfaceWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_mesh_generator.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_mesh_generator.html index d34559eb..988363f4 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_mesh_generator.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_mesh_generator.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::MeshGenerator — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::MeshGenerator — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule.html index db0446dc..ab80711c 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::Molecule — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::Molecule — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule_model.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule_model.html index ad9728ee..f50a163a 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule_model.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_molecule_model.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::MoleculeModel — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::MoleculeModel — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_multi_view_widget.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_multi_view_widget.html index 4eec9e90..d1d1d679 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_multi_view_widget.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_multi_view_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::MultiViewWidget — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::MultiViewWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_scene.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_scene.html index 9833eec7..c4da884e 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_scene.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_scene.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::PeriodicTableScene — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::PeriodicTableScene — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_view.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_view.html index 17f81c9b..7be04518 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_view.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_periodic_table_view.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::PeriodicTableView — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::PeriodicTableView — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_atom.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_atom.html index 3221f0b5..90fdfa72 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_atom.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_atom.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::PersistentAtom — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::PersistentAtom — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_bond.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_bond.html index da7ef878..b8f01b0a 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_bond.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_persistent_bond.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::PersistentBond — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::PersistentBond — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_python_script.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_python_script.html index 02c2db4b..b49e979c 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_python_script.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_python_script.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::PythonScript — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::PythonScript — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_atom.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_atom.html index 510105f6..952d87d6 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_atom.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_atom.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::RWAtom — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::RWAtom — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_bond.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_bond.html index 0c671163..12d9f497 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_bond.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_bond.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::RWBond — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::RWBond — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_molecule.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_molecule.html index 651df868..f3bb84bc 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_molecule.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_r_w_molecule.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::RWMolecule — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::RWMolecule — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin.html index 7f011518..80380ae4 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ScenePlugin — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ScenePlugin — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_factory.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_factory.html index 64742ca8..274a3eb2 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_factory.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_factory.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ScenePluginFactory — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ScenePluginFactory — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_model.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_model.html index 33339689..9c2629b5 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_model.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_scene_plugin_model.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ScenePluginModel — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ScenePluginModel — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html index fa09cf22..57ff51f1 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_script_loader.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ScriptLoader — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ScriptLoader — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin.html index 5da7a743..690c1653 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ToolPlugin — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ToolPlugin — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

Avogadro

@@ -785,6 +793,12 @@

Class Avogadro::QtGui::ToolPlugin +
+void requestActiveDisplayTypes(QStringList displayTypes)#
+

Request a specific display type (or types) are made active. This can be useful when loading a specific type of data that would be most readily viewed with a specialized view.

+

+ @@ -863,6 +877,7 @@

Class Avogadro::QtGui::ToolPluginToolPlugin::drawablesChanged()
  • ToolPlugin::updateRequested()
  • ToolPlugin::registerCommand()
    • +
  • ToolPlugin::requestActiveDisplayTypes()
    • diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin_factory.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin_factory.html index 6f8e5894..92f39d4f 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin_factory.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_tool_plugin_factory.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ToolPluginFactory — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ToolPluginFactory — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_qt_gui_1_1_view_factory.html b/develop/class/class_avogadro_1_1_qt_gui_1_1_view_factory.html index 0d81a312..007ff953 100644 --- a/develop/class/class_avogadro_1_1_qt_gui_1_1_view_factory.html +++ b/develop/class/class_avogadro_1_1_qt_gui_1_1_view_factory.html @@ -8,7 +8,7 @@ - Class Avogadro::QtGui::ViewFactory — Avogadro 1.98.1 documentation + Class Avogadro::QtGui::ViewFactory — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_active_objects.html b/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_active_objects.html index ef465cde..3492ec9b 100644 --- a/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_active_objects.html +++ b/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_active_objects.html @@ -8,7 +8,7 @@ - Class Avogadro::QtOpenGL::ActiveObjects — Avogadro 1.98.1 documentation + Class Avogadro::QtOpenGL::ActiveObjects — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_g_l_widget.html b/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_g_l_widget.html index 2101b421..1921a0e9 100644 --- a/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_g_l_widget.html +++ b/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_g_l_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::QtOpenGL::GLWidget — Avogadro 1.98.1 documentation + Class Avogadro::QtOpenGL::GLWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_qt_text_render_strategy.html b/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_qt_text_render_strategy.html index 78694f4b..993c26fd 100644 --- a/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_qt_text_render_strategy.html +++ b/develop/class/class_avogadro_1_1_qt_open_g_l_1_1_qt_text_render_strategy.html @@ -8,7 +8,7 @@ - Class Avogadro::QtOpenGL::QtTextRenderStrategy — Avogadro 1.98.1 documentation + Class Avogadro::QtOpenGL::QtTextRenderStrategy — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_a_m_e_s_s_u_s_output.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_a_m_e_s_s_u_s_output.html index e4c8d54e..f70b50c0 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_a_m_e_s_s_u_s_output.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_a_m_e_s_s_u_s_output.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::GAMESSUSOutput — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::GAMESSUSOutput — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_u_k_basis_set.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_u_k_basis_set.html index f1d445f0..9139ada6 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_u_k_basis_set.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_g_u_k_basis_set.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::GUKBasisSet — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::GUKBasisSet — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gamessuk_out.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gamessuk_out.html index 575b4dbb..ae08f73e 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gamessuk_out.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gamessuk_out.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::GamessukOut — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::GamessukOut — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_cube.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_cube.html index 86c705f2..84b2cbcb 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_cube.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_cube.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::GaussianCube — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::GaussianCube — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_fchk.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_fchk.html index b10317bf..a8d40bca 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_fchk.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_gaussian_fchk.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::GaussianFchk — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::GaussianFchk — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_molden_file.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_molden_file.html index 1d7b34b6..dca6f217 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_molden_file.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_molden_file.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::MoldenFile — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::MoldenFile — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_mopac_aux.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_mopac_aux.html index e273fb02..dd351a56 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_mopac_aux.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_mopac_aux.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::MopacAux — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::MopacAux — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_json.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_json.html index 1017f52a..c87dcb9e 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_json.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_json.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::NWChemJson — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::NWChemJson — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_log.html b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_log.html index 8c5c1eca..ec0e9ce7 100644 --- a/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_log.html +++ b/develop/class/class_avogadro_1_1_quantum_i_o_1_1_n_w_chem_log.html @@ -8,7 +8,7 @@ - Class Avogadro::QuantumIO::NWChemLog — Avogadro 1.98.1 documentation + Class Avogadro::QuantumIO::NWChemLog — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_ambient_occlusion_sphere_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_ambient_occlusion_sphere_geometry.html index 182544ce..4bb1ca82 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_ambient_occlusion_sphere_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_ambient_occlusion_sphere_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::AmbientOcclusionSphereGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::AmbientOcclusionSphereGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_arrow_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_arrow_geometry.html index cb545748..9cf8020d 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_arrow_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_arrow_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::ArrowGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::ArrowGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_buffer_object.html b/develop/class/class_avogadro_1_1_rendering_1_1_buffer_object.html index 1ad5e7d6..09ade4be 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_buffer_object.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_buffer_object.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::BufferObject — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::BufferObject — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_camera.html b/develop/class/class_avogadro_1_1_rendering_1_1_camera.html index ea550476..c50abdcc 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_camera.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_camera.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Camera — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Camera — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_cylinder.html b/develop/class/class_avogadro_1_1_rendering_1_1_cylinder.html index 2c4d7418..6d765af5 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_cylinder.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_cylinder.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Cylinder — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Cylinder — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_cylinder_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_cylinder_geometry.html index 6ed5dab5..1124027a 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_cylinder_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_cylinder_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::CylinderGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::CylinderGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_drawable.html b/develop/class/class_avogadro_1_1_rendering_1_1_drawable.html index 48db35d4..4fc5272a 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_drawable.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_drawable.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Drawable — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Drawable — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_g_l_render_visitor.html b/develop/class/class_avogadro_1_1_rendering_1_1_g_l_render_visitor.html index dd23224e..21bc547b 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_g_l_render_visitor.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_g_l_render_visitor.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::GLRenderVisitor — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::GLRenderVisitor — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_g_l_renderer.html b/develop/class/class_avogadro_1_1_rendering_1_1_g_l_renderer.html index 67a1f2ae..474e6c92 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_g_l_renderer.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_g_l_renderer.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::GLRenderer — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::GLRenderer — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_geometry_node.html b/develop/class/class_avogadro_1_1_rendering_1_1_geometry_node.html index a8cad226..fe88c210 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_geometry_node.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_geometry_node.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::GeometryNode — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::GeometryNode — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_geometry_visitor.html b/develop/class/class_avogadro_1_1_rendering_1_1_geometry_visitor.html index 0de998c0..5240f137 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_geometry_visitor.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_geometry_visitor.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::GeometryVisitor — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::GeometryVisitor — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_group_node.html b/develop/class/class_avogadro_1_1_rendering_1_1_group_node.html index ead6e27d..a58a0845 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_group_node.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_group_node.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::GroupNode — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::GroupNode — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_line_strip_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_line_strip_geometry.html index b12da587..ebf9540f 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_line_strip_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_line_strip_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::LineStripGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::LineStripGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_mesh_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_mesh_geometry.html index 30bf6333..9992a327 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_mesh_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_mesh_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::MeshGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::MeshGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_node.html b/develop/class/class_avogadro_1_1_rendering_1_1_node.html index ed7289a5..c8077d91 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_node.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_node.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Node — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Node — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_p_o_v_ray_visitor.html b/develop/class/class_avogadro_1_1_rendering_1_1_p_o_v_ray_visitor.html index f37d2af4..d312fbf3 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_p_o_v_ray_visitor.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_p_o_v_ray_visitor.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::POVRayVisitor — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::POVRayVisitor — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_primitive.html b/develop/class/class_avogadro_1_1_rendering_1_1_primitive.html index 6e0c996a..f239fa43 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_primitive.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_primitive.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Primitive — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Primitive — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_scene.html b/develop/class/class_avogadro_1_1_rendering_1_1_scene.html index 1def5d1a..fce04b53 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_scene.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_scene.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Scene — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Scene — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_shader.html b/develop/class/class_avogadro_1_1_rendering_1_1_shader.html index ef12bc95..bcb8175c 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_shader.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_shader.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Shader — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Shader — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_shader_program.html b/develop/class/class_avogadro_1_1_rendering_1_1_shader_program.html index 31200417..d8299dff 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_shader_program.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_shader_program.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::ShaderProgram — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::ShaderProgram — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_sphere.html b/develop/class/class_avogadro_1_1_rendering_1_1_sphere.html index 2de5dc70..dbe54fe3 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_sphere.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_sphere.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Sphere — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Sphere — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_sphere_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_sphere_geometry.html index 7841d55e..0cc16bf8 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_sphere_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_sphere_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::SphereGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::SphereGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_text_label2_d.html b/develop/class/class_avogadro_1_1_rendering_1_1_text_label2_d.html index 7f877875..72db98ff 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_text_label2_d.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_text_label2_d.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::TextLabel2D — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::TextLabel2D — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_text_label3_d.html b/develop/class/class_avogadro_1_1_rendering_1_1_text_label3_d.html index 14479740..c2b14708 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_text_label3_d.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_text_label3_d.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::TextLabel3D — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::TextLabel3D — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_text_label_base.html b/develop/class/class_avogadro_1_1_rendering_1_1_text_label_base.html index 4ba87f7d..17c412da 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_text_label_base.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_text_label_base.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::TextLabelBase — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::TextLabelBase — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_text_properties.html b/develop/class/class_avogadro_1_1_rendering_1_1_text_properties.html index 2bfaa8de..650a1b66 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_text_properties.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_text_properties.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::TextProperties — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::TextProperties — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_text_render_strategy.html b/develop/class/class_avogadro_1_1_rendering_1_1_text_render_strategy.html index abc68a6c..b0723df1 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_text_render_strategy.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_text_render_strategy.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::TextRenderStrategy — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::TextRenderStrategy — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_texture2_d.html b/develop/class/class_avogadro_1_1_rendering_1_1_texture2_d.html index 53698e7e..9e234169 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_texture2_d.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_texture2_d.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Texture2D — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Texture2D — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_transform_node.html b/develop/class/class_avogadro_1_1_rendering_1_1_transform_node.html index 103f7188..fbddedd3 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_transform_node.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_transform_node.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::TransformNode — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::TransformNode — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_v_r_m_l_visitor.html b/develop/class/class_avogadro_1_1_rendering_1_1_v_r_m_l_visitor.html index d7bac21f..9c75a04a 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_v_r_m_l_visitor.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_v_r_m_l_visitor.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::VRMLVisitor — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::VRMLVisitor — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_visitor.html b/develop/class/class_avogadro_1_1_rendering_1_1_visitor.html index 442544ff..e8ee7bab 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_visitor.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_visitor.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::Visitor — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::Visitor — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_rendering_1_1_volume_geometry.html b/develop/class/class_avogadro_1_1_rendering_1_1_volume_geometry.html index a9626e30..c9f4c995 100644 --- a/develop/class/class_avogadro_1_1_rendering_1_1_volume_geometry.html +++ b/develop/class/class_avogadro_1_1_rendering_1_1_volume_geometry.html @@ -8,7 +8,7 @@ - Class Avogadro::Rendering::VolumeGeometry — Avogadro 1.98.1 documentation + Class Avogadro::Rendering::VolumeGeometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits.html b/develop/class/class_avogadro_1_1_type_traits.html index f898d55b..a5019d6e 100644 --- a/develop/class/class_avogadro_1_1_type_traits.html +++ b/develop/class/class_avogadro_1_1_type_traits.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01char_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01char_01_4.html index fb82d0a3..8187ba41 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01char_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01char_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< char > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< char > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01double_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01double_01_4.html index c318cf02..29bb6d66 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01double_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01double_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< double > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< double > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01float_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01float_01_4.html index b2850f86..0029fb0b 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01float_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01float_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< float > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< float > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01int_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01int_01_4.html index 9249f7a3..88b75632 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01int_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01int_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< int > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< int > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01short_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01short_01_4.html index f8bc2e5b..66b45c0d 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01short_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01short_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< short > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< short > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01char_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01char_01_4.html index c746c602..797e72a1 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01char_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01char_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< unsigned char > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< unsigned char > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01int_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01int_01_4.html index 40e3ae0d..a28c3e67 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01int_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01int_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< unsigned int > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< unsigned int > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01short_01_4.html b/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01short_01_4.html index f7fd0d9d..1ece024b 100644 --- a/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01short_01_4.html +++ b/develop/class/class_avogadro_1_1_type_traits_3_01unsigned_01short_01_4.html @@ -8,7 +8,7 @@ - Class Avogadro::TypeTraits< unsigned short > — Avogadro 1.98.1 documentation + Class Avogadro::TypeTraits< unsigned short > — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_v_t_k_1_1_vtk_plot.html b/develop/class/class_avogadro_1_1_v_t_k_1_1_vtk_plot.html index de1da83e..0a4e8a49 100644 --- a/develop/class/class_avogadro_1_1_v_t_k_1_1_vtk_plot.html +++ b/develop/class/class_avogadro_1_1_v_t_k_1_1_vtk_plot.html @@ -8,7 +8,7 @@ - Class Avogadro::VTK::VtkPlot — Avogadro 1.98.1 documentation + Class Avogadro::VTK::VtkPlot — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/class_avogadro_1_1_v_t_k_1_1vtk_g_l_widget.html b/develop/class/class_avogadro_1_1_v_t_k_1_1vtk_g_l_widget.html index 31d136e5..f09ce25e 100644 --- a/develop/class/class_avogadro_1_1_v_t_k_1_1vtk_g_l_widget.html +++ b/develop/class/class_avogadro_1_1_v_t_k_1_1vtk_g_l_widget.html @@ -8,7 +8,7 @@ - Class Avogadro::VTK::vtkGLWidget — Avogadro 1.98.1 documentation + Class Avogadro::VTK::vtkGLWidget — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/class/classvtk_avogadro_actor.html b/develop/class/classvtk_avogadro_actor.html index 6881fb26..e399eba2 100644 --- a/develop/class/classvtk_avogadro_actor.html +++ b/develop/class/classvtk_avogadro_actor.html @@ -8,7 +8,7 @@ - Class vtkAvogadroActor — Avogadro 1.98.1 documentation + Class vtkAvogadroActor — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/classlist.html b/develop/classlist.html index 3dc5ffd1..b240a1c8 100644 --- a/develop/classlist.html +++ b/develop/classlist.html @@ -8,7 +8,7 @@ - Class List — Avogadro 1.98.1 documentation + Class List — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -3140,6 +3148,7 @@
  • ToolPlugin::drawablesChanged()
  • ToolPlugin::updateRequested()
  • ToolPlugin::registerCommand()
    • +
  • ToolPlugin::requestActiveDisplayTypes()
    • diff --git a/develop/core.html b/develop/core.html index 049bd39e..c323c4e7 100644 --- a/develop/core.html +++ b/develop/core.html @@ -8,7 +8,7 @@ - Core Classes — Avogadro 1.98.1 documentation + Core Classes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/index.html b/develop/index.html index 1b5c7991..de9185dc 100644 --- a/develop/index.html +++ b/develop/index.html @@ -8,7 +8,7 @@ - Develop — Avogadro 1.98.1 documentation + Develop — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/io.html b/develop/io.html index 4b94fbb2..cd81e4b7 100644 --- a/develop/io.html +++ b/develop/io.html @@ -8,7 +8,7 @@ - IO Classes — Avogadro 1.98.1 documentation + IO Classes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/molequeue.html b/develop/molequeue.html index 6f399092..23251d32 100644 --- a/develop/molequeue.html +++ b/develop/molequeue.html @@ -8,7 +8,7 @@ - MoleQueue Classes — Avogadro 1.98.1 documentation + MoleQueue Classes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/qtgui.html b/develop/qtgui.html index da090cce..5d7e3aba 100644 --- a/develop/qtgui.html +++ b/develop/qtgui.html @@ -8,7 +8,7 @@ - QtGui Classes — Avogadro 1.98.1 documentation + QtGui Classes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -1223,6 +1231,7 @@
  • ToolPlugin::drawablesChanged()
  • ToolPlugin::updateRequested()
  • ToolPlugin::registerCommand()
    • +
  • ToolPlugin::requestActiveDisplayTypes()
    • diff --git a/develop/rendering.html b/develop/rendering.html index 8ca6680e..142578d8 100644 --- a/develop/rendering.html +++ b/develop/rendering.html @@ -8,7 +8,7 @@ - Rendering Classes — Avogadro 1.98.1 documentation + Rendering Classes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/rpc.html b/develop/rpc.html index f8936db5..944cdd30 100644 --- a/develop/rpc.html +++ b/develop/rpc.html @@ -8,7 +8,7 @@ - Avogadro Remote Procedure Call (RPC) — Avogadro 1.98.1 documentation + Avogadro Remote Procedure Call (RPC) — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/charges.html b/develop/scripts/charges.html index 9caf3b3c..7e6b64d7 100644 --- a/develop/scripts/charges.html +++ b/develop/scripts/charges.html @@ -8,7 +8,7 @@ - Charges / Electrostatics — Avogadro 1.98.1 documentation + Charges / Electrostatics — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/commands.html b/develop/scripts/commands.html index 39fe664b..17348321 100644 --- a/develop/scripts/commands.html +++ b/develop/scripts/commands.html @@ -8,7 +8,7 @@ - Command Scripts — Avogadro 1.98.1 documentation + Command Scripts — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/energy.html b/develop/scripts/energy.html index b5557bad..466b3365 100644 --- a/develop/scripts/energy.html +++ b/develop/scripts/energy.html @@ -8,7 +8,7 @@ - Energy / Force Fields — Avogadro 1.98.1 documentation + Energy / Force Fields — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/example1.html b/develop/scripts/example1.html index 7d6b4496..974c7f21 100644 --- a/develop/scripts/example1.html +++ b/develop/scripts/example1.html @@ -8,7 +8,7 @@ - Example Plugin Script - Part 1 — Avogadro 1.98.1 documentation + Example Plugin Script - Part 1 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/example2.html b/develop/scripts/example2.html index 80548c52..3d77ff5d 100644 --- a/develop/scripts/example2.html +++ b/develop/scripts/example2.html @@ -8,7 +8,7 @@ - Example Plugin Script - Part 2 — Avogadro 1.98.1 documentation + Example Plugin Script - Part 2 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/formats.html b/develop/scripts/formats.html index 3e17ab25..03adfcb6 100644 --- a/develop/scripts/formats.html +++ b/develop/scripts/formats.html @@ -8,7 +8,7 @@ - File Formats — Avogadro 1.98.1 documentation + File Formats — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/generators.html b/develop/scripts/generators.html index 32a863a0..da693d9b 100644 --- a/develop/scripts/generators.html +++ b/develop/scripts/generators.html @@ -8,7 +8,7 @@ - Input Generators — Avogadro 1.98.1 documentation + Input Generators — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/index.html b/develop/scripts/index.html index ed2da006..658136cd 100644 --- a/develop/scripts/index.html +++ b/develop/scripts/index.html @@ -8,7 +8,7 @@ - Script Plugins — Avogadro 1.98.1 documentation + Script Plugins — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/install.html b/develop/scripts/install.html index dd49ea8a..1f603653 100644 --- a/develop/scripts/install.html +++ b/develop/scripts/install.html @@ -8,7 +8,7 @@ - Installing Script Plugins — Avogadro 1.98.1 documentation + Installing Script Plugins — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/scripts/interface.html b/develop/scripts/interface.html index df12c03b..4e672c8c 100644 --- a/develop/scripts/interface.html +++ b/develop/scripts/interface.html @@ -8,7 +8,7 @@ - Script Interfaces — Avogadro 1.98.1 documentation + Script Interfaces — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/develop/vtk.html b/develop/vtk.html index 4b8190a4..053636f3 100644 --- a/develop/vtk.html +++ b/develop/vtk.html @@ -8,7 +8,7 @@ - VTK Classes — Avogadro 1.98.1 documentation + VTK Classes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/LICENSE.html b/docs/LICENSE.html index 740cf8a5..53882fb3 100644 --- a/docs/LICENSE.html +++ b/docs/LICENSE.html @@ -8,7 +8,7 @@ - License — Avogadro 1.98.1 documentation + License — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/README.html b/docs/README.html index 80210964..a1c9a5ff 100644 --- a/docs/README.html +++ b/docs/README.html @@ -8,7 +8,7 @@ - Avogadro: Molecular Editor and Visualization — Avogadro 1.98.1 documentation + Avogadro: Molecular Editor and Visualization — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/SUMMARY.html b/docs/SUMMARY.html index 3b0c354b..ba445a1f 100644 --- a/docs/SUMMARY.html +++ b/docs/SUMMARY.html @@ -8,7 +8,7 @@ - Table of contents — Avogadro 1.98.1 documentation + Table of contents — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/building-a-crystal-slab.html b/docs/building-materials/building-a-crystal-slab.html index f886c913..9241dbc7 100644 --- a/docs/building-materials/building-a-crystal-slab.html +++ b/docs/building-materials/building-a-crystal-slab.html @@ -8,7 +8,7 @@ - Making a Crystal Surface Slab — Avogadro 1.98.1 documentation + Making a Crystal Surface Slab — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/building-a-polymer-unit-cell.html b/docs/building-materials/building-a-polymer-unit-cell.html index a66b4895..83e1cae4 100644 --- a/docs/building-materials/building-a-polymer-unit-cell.html +++ b/docs/building-materials/building-a-polymer-unit-cell.html @@ -8,7 +8,7 @@ - Building a Polymer Unit Cell — Avogadro 1.98.1 documentation + Building a Polymer Unit Cell — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/crystal-symmetry-perception.html b/docs/building-materials/crystal-symmetry-perception.html index 714dd9c3..58e9262a 100644 --- a/docs/building-materials/crystal-symmetry-perception.html +++ b/docs/building-materials/crystal-symmetry-perception.html @@ -8,7 +8,7 @@ - Perceiving Crystall Symmetry — Avogadro 1.98.1 documentation + Perceiving Crystall Symmetry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/index.html b/docs/building-materials/index.html index 094d757b..8bce4ac0 100644 --- a/docs/building-materials/index.html +++ b/docs/building-materials/index.html @@ -8,7 +8,7 @@ - Building Materials — Avogadro 1.98.1 documentation + Building Materials — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/molecule-surface-interactions.html b/docs/building-materials/molecule-surface-interactions.html index 96273fb0..b5debc0d 100644 --- a/docs/building-materials/molecule-surface-interactions.html +++ b/docs/building-materials/molecule-surface-interactions.html @@ -8,7 +8,7 @@ - Building Molecule-Surface Interactions — Avogadro 1.98.1 documentation + Building Molecule-Surface Interactions — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/reducing-crystals-to-primitive-cells.html b/docs/building-materials/reducing-crystals-to-primitive-cells.html index c393942b..63decabe 100644 --- a/docs/building-materials/reducing-crystals-to-primitive-cells.html +++ b/docs/building-materials/reducing-crystals-to-primitive-cells.html @@ -8,7 +8,7 @@ - Reducing Crystals to a Primitive Unit Cell — Avogadro 1.98.1 documentation + Reducing Crystals to a Primitive Unit Cell — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/scaling-crystal-volumes.html b/docs/building-materials/scaling-crystal-volumes.html index 5511e8c5..623347e5 100644 --- a/docs/building-materials/scaling-crystal-volumes.html +++ b/docs/building-materials/scaling-crystal-volumes.html @@ -8,7 +8,7 @@ - Scaling Crystal Cell Volume — Avogadro 1.98.1 documentation + Scaling Crystal Cell Volume — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-materials/supercell.html b/docs/building-materials/supercell.html index 1a18a3b1..e751f1de 100644 --- a/docs/building-materials/supercell.html +++ b/docs/building-materials/supercell.html @@ -8,7 +8,7 @@ - Building a Supercell — Avogadro 1.98.1 documentation + Building a Supercell — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/building-a-peptide.html b/docs/building-molecules/building-a-peptide.html index 24e4a64a..69aac92f 100644 --- a/docs/building-molecules/building-a-peptide.html +++ b/docs/building-molecules/building-a-peptide.html @@ -8,7 +8,7 @@ - Building a Peptide — Avogadro 1.98.1 documentation + Building a Peptide — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/building-carbon-nanotubes.html b/docs/building-molecules/building-carbon-nanotubes.html index 994b0e1c..348b3e7f 100644 --- a/docs/building-molecules/building-carbon-nanotubes.html +++ b/docs/building-molecules/building-carbon-nanotubes.html @@ -8,7 +8,7 @@ - Building Carbon Nanotubes — Avogadro 1.98.1 documentation + Building Carbon Nanotubes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/building-dna-rna.html b/docs/building-molecules/building-dna-rna.html index 425df48b..0ea3b927 100644 --- a/docs/building-molecules/building-dna-rna.html +++ b/docs/building-molecules/building-dna-rna.html @@ -8,7 +8,7 @@ - Building DNA or RNA — Avogadro 1.98.1 documentation + Building DNA or RNA — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/building-with-smiles.html b/docs/building-molecules/building-with-smiles.html index 893b6942..a9c05906 100644 --- a/docs/building-molecules/building-with-smiles.html +++ b/docs/building-molecules/building-with-smiles.html @@ -8,7 +8,7 @@ - Building with SMILES — Avogadro 1.98.1 documentation + Building with SMILES — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/importing-from-the-pdb.html b/docs/building-molecules/importing-from-the-pdb.html index 0c0aa3c1..3552a8b6 100644 --- a/docs/building-molecules/importing-from-the-pdb.html +++ b/docs/building-molecules/importing-from-the-pdb.html @@ -8,7 +8,7 @@ - Importing from the Protein Data Bank (PDB) — Avogadro 1.98.1 documentation + Importing from the Protein Data Bank (PDB) — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/importing-molecules-by-name.html b/docs/building-molecules/importing-molecules-by-name.html index 4fa5c942..5ed59f59 100644 --- a/docs/building-molecules/importing-molecules-by-name.html +++ b/docs/building-molecules/importing-molecules-by-name.html @@ -8,7 +8,7 @@ - Importing Molecules by Name — Avogadro 1.98.1 documentation + Importing Molecules by Name — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/index.html b/docs/building-molecules/index.html index c90857a8..7fd22557 100644 --- a/docs/building-molecules/index.html +++ b/docs/building-molecules/index.html @@ -8,7 +8,7 @@ - Building Molecules — Avogadro 1.98.1 documentation + Building Molecules — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/building-molecules/insert-fragments.html b/docs/building-molecules/insert-fragments.html index 4e2fb6f5..9feb3a50 100644 --- a/docs/building-molecules/insert-fragments.html +++ b/docs/building-molecules/insert-fragments.html @@ -8,7 +8,7 @@ - Insert Molecular Fragments — Avogadro 1.98.1 documentation + Insert Molecular Fragments — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/display-types/coloring-part-of-a-molecule.html b/docs/display-types/coloring-part-of-a-molecule.html index cc86efca..2554ae4d 100644 --- a/docs/display-types/coloring-part-of-a-molecule.html +++ b/docs/display-types/coloring-part-of-a-molecule.html @@ -8,7 +8,7 @@ - Coloring Part of a Molecules — Avogadro 1.98.1 documentation + Coloring Part of a Molecules — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/display-types/display-types.html b/docs/display-types/display-types.html index f2e67a41..2b0e26f5 100644 --- a/docs/display-types/display-types.html +++ b/docs/display-types/display-types.html @@ -8,7 +8,7 @@ - Different Display Styles — Avogadro 1.98.1 documentation + Different Display Styles — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/display-types/index.html b/docs/display-types/index.html index 4351f3ad..b9ff3a70 100644 --- a/docs/display-types/index.html +++ b/docs/display-types/index.html @@ -8,7 +8,7 @@ - Display Types — Avogadro 1.98.1 documentation + Display Types — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/getting-started/drawing-molecules.html b/docs/getting-started/drawing-molecules.html index 2eb84c39..61a12eb5 100644 --- a/docs/getting-started/drawing-molecules.html +++ b/docs/getting-started/drawing-molecules.html @@ -8,7 +8,7 @@ - Drawing Molecules — Avogadro 1.98.1 documentation + Drawing Molecules — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/getting-started/index.html b/docs/getting-started/index.html index a6e4f812..e9f88c5c 100644 --- a/docs/getting-started/index.html +++ b/docs/getting-started/index.html @@ -8,7 +8,7 @@ - Getting Started — Avogadro 1.98.1 documentation + Getting Started — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/getting-started/introduction.html b/docs/getting-started/introduction.html index f2b94ebc..adafb50a 100644 --- a/docs/getting-started/introduction.html +++ b/docs/getting-started/introduction.html @@ -8,7 +8,7 @@ - Introduction — Avogadro 1.98.1 documentation + Introduction — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/getting-started/making-selections.html b/docs/getting-started/making-selections.html index 1e3af28b..be3ab0d8 100644 --- a/docs/getting-started/making-selections.html +++ b/docs/getting-started/making-selections.html @@ -8,7 +8,7 @@ - Making Selections — Avogadro 1.98.1 documentation + Making Selections — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/getting-started/saving-files.html b/docs/getting-started/saving-files.html index 78fbd792..db28655d 100644 --- a/docs/getting-started/saving-files.html +++ b/docs/getting-started/saving-files.html @@ -8,7 +8,7 @@ - Saving Files — Avogadro 1.98.1 documentation + Saving Files — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/index.html b/docs/index.html index 92bfda6a..af2d0577 100644 --- a/docs/index.html +++ b/docs/index.html @@ -8,7 +8,7 @@ - User Guide — Avogadro 1.98.1 documentation + User Guide — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/build-menu.html b/docs/menus/build-menu.html index 20da2bf9..d8fa224f 100644 --- a/docs/menus/build-menu.html +++ b/docs/menus/build-menu.html @@ -8,7 +8,7 @@ - Build Menu — Avogadro 1.98.1 documentation + Build Menu — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/edit-menu.html b/docs/menus/edit-menu.html index 1521b844..d48daa4f 100644 --- a/docs/menus/edit-menu.html +++ b/docs/menus/edit-menu.html @@ -8,7 +8,7 @@ - Edit Menu — Avogadro 1.98.1 documentation + Edit Menu — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/extensions-menu.html b/docs/menus/extensions-menu.html index b8bf84b5..e6f08f30 100644 --- a/docs/menus/extensions-menu.html +++ b/docs/menus/extensions-menu.html @@ -8,7 +8,7 @@ - Extension Menu — Avogadro 1.98.1 documentation + Extension Menu — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/file-menu.html b/docs/menus/file-menu.html index 4a0bb2ea..334a9e4a 100644 --- a/docs/menus/file-menu.html +++ b/docs/menus/file-menu.html @@ -8,7 +8,7 @@ - File Menu — Avogadro 1.98.1 documentation + File Menu — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/index.html b/docs/menus/index.html index 8d3b5150..e44960fc 100644 --- a/docs/menus/index.html +++ b/docs/menus/index.html @@ -8,7 +8,7 @@ - Menus — Avogadro 1.98.1 documentation + Menus — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/select-menu.html b/docs/menus/select-menu.html index 12353349..dc697950 100644 --- a/docs/menus/select-menu.html +++ b/docs/menus/select-menu.html @@ -8,7 +8,7 @@ - Select Menu — Avogadro 1.98.1 documentation + Select Menu — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/menus/view-menu.html b/docs/menus/view-menu.html index 51e8e59c..74cca039 100644 --- a/docs/menus/view-menu.html +++ b/docs/menus/view-menu.html @@ -8,7 +8,7 @@ - View Menu — Avogadro 1.98.1 documentation + View Menu — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/optimizing-geometry/conformers.html b/docs/optimizing-geometry/conformers.html index 98ddb3ce..918b901b 100644 --- a/docs/optimizing-geometry/conformers.html +++ b/docs/optimizing-geometry/conformers.html @@ -8,7 +8,7 @@ - Finding Conformers of Molecules — Avogadro 1.98.1 documentation + Finding Conformers of Molecules — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/optimizing-geometry/constraints.html b/docs/optimizing-geometry/constraints.html index bc188276..ea230b04 100644 --- a/docs/optimizing-geometry/constraints.html +++ b/docs/optimizing-geometry/constraints.html @@ -8,7 +8,7 @@ - Geometry Constraints — Avogadro 1.98.1 documentation + Geometry Constraints — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/optimizing-geometry/enabling-ff.html b/docs/optimizing-geometry/enabling-ff.html index f3f5b95f..aa8cbb33 100644 --- a/docs/optimizing-geometry/enabling-ff.html +++ b/docs/optimizing-geometry/enabling-ff.html @@ -8,7 +8,7 @@ - Enabling additional force fields — Avogadro 1.98.1 documentation + Enabling additional force fields — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/optimizing-geometry/index.html b/docs/optimizing-geometry/index.html index 700701fc..ad7d5904 100644 --- a/docs/optimizing-geometry/index.html +++ b/docs/optimizing-geometry/index.html @@ -8,7 +8,7 @@ - Optimizing Geometry — Avogadro 1.98.1 documentation + Optimizing Geometry — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/optimizing-geometry/molecular-mechanics.html b/docs/optimizing-geometry/molecular-mechanics.html index 043aa636..13c336ff 100644 --- a/docs/optimizing-geometry/molecular-mechanics.html +++ b/docs/optimizing-geometry/molecular-mechanics.html @@ -8,7 +8,7 @@ - Introduction to Molecular Mechanics — Avogadro 1.98.1 documentation + Introduction to Molecular Mechanics — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/align-tool.html b/docs/tools/align-tool.html index 2909a10d..f12daa2b 100644 --- a/docs/tools/align-tool.html +++ b/docs/tools/align-tool.html @@ -8,7 +8,7 @@ - Align Tool — Avogadro 1.98.1 documentation + Align Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/auto-optimize-tool.html b/docs/tools/auto-optimize-tool.html index 59b66250..6712424c 100644 --- a/docs/tools/auto-optimize-tool.html +++ b/docs/tools/auto-optimize-tool.html @@ -8,7 +8,7 @@ - Auto-Optimize Tool — Avogadro 1.98.1 documentation + Auto-Optimize Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/auto-rotate-tool.html b/docs/tools/auto-rotate-tool.html index 717ac5b6..36cd0036 100644 --- a/docs/tools/auto-rotate-tool.html +++ b/docs/tools/auto-rotate-tool.html @@ -8,7 +8,7 @@ - Auto-Rotate Tool — Avogadro 1.98.1 documentation + Auto-Rotate Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/bond-centric-manipulate-tool.html b/docs/tools/bond-centric-manipulate-tool.html index 481ddc56..e254aab5 100644 --- a/docs/tools/bond-centric-manipulate-tool.html +++ b/docs/tools/bond-centric-manipulate-tool.html @@ -8,7 +8,7 @@ - Bond-Centric Manipulate Tool — Avogadro 1.98.1 documentation + Bond-Centric Manipulate Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/draw-tool.html b/docs/tools/draw-tool.html index 4b1f67d0..1cbfe80b 100644 --- a/docs/tools/draw-tool.html +++ b/docs/tools/draw-tool.html @@ -8,7 +8,7 @@ - Draw Tool — Avogadro 1.98.1 documentation + Draw Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/index.html b/docs/tools/index.html index 8c83588d..6e19d125 100644 --- a/docs/tools/index.html +++ b/docs/tools/index.html @@ -8,7 +8,7 @@ - Tools — Avogadro 1.98.1 documentation + Tools — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/manipulate-tool.html b/docs/tools/manipulate-tool.html index 309e9ff1..6a38b33b 100644 --- a/docs/tools/manipulate-tool.html +++ b/docs/tools/manipulate-tool.html @@ -8,7 +8,7 @@ - Manipulate Tool — Avogadro 1.98.1 documentation + Manipulate Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/measure-tool.html b/docs/tools/measure-tool.html index a846dca7..3066c3d6 100644 --- a/docs/tools/measure-tool.html +++ b/docs/tools/measure-tool.html @@ -8,7 +8,7 @@ - Measure Tool — Avogadro 1.98.1 documentation + Measure Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/navigate-tool.html b/docs/tools/navigate-tool.html index 229981b9..542d94a3 100644 --- a/docs/tools/navigate-tool.html +++ b/docs/tools/navigate-tool.html @@ -8,7 +8,7 @@ - Navigate Tool — Avogadro 1.98.1 documentation + Navigate Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/selection-tool.html b/docs/tools/selection-tool.html index 1cfc6516..15ba947b 100644 --- a/docs/tools/selection-tool.html +++ b/docs/tools/selection-tool.html @@ -8,7 +8,7 @@ - Selection Tool — Avogadro 1.98.1 documentation + Selection Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tools/template-tool.html b/docs/tools/template-tool.html index 0bdb2821..b00f6f5c 100644 --- a/docs/tools/template-tool.html +++ b/docs/tools/template-tool.html @@ -8,7 +8,7 @@ - Template Tool — Avogadro 1.98.1 documentation + Template Tool — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tutorials/index.html b/docs/tutorials/index.html index 37bd4863..b4a4b3cc 100644 --- a/docs/tutorials/index.html +++ b/docs/tutorials/index.html @@ -8,7 +8,7 @@ - Tutorials — Avogadro 1.98.1 documentation + Tutorials — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tutorials/naming-a-molecule.html b/docs/tutorials/naming-a-molecule.html index 91a156df..c82d872a 100644 --- a/docs/tutorials/naming-a-molecule.html +++ b/docs/tutorials/naming-a-molecule.html @@ -8,7 +8,7 @@ - Naming a Molecule — Avogadro 1.98.1 documentation + Naming a Molecule — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tutorials/using-qtaim-and-wfn.html b/docs/tutorials/using-qtaim-and-wfn.html index fa5e3ed7..4d3c7e0f 100644 --- a/docs/tutorials/using-qtaim-and-wfn.html +++ b/docs/tutorials/using-qtaim-and-wfn.html @@ -8,7 +8,7 @@ - Using QTAIM (Atoms in Molecules) Analysis — Avogadro 1.98.1 documentation + Using QTAIM (Atoms in Molecules) Analysis — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tutorials/viewing-electrostatic-potential.html b/docs/tutorials/viewing-electrostatic-potential.html index 9e8752ac..637023ef 100644 --- a/docs/tutorials/viewing-electrostatic-potential.html +++ b/docs/tutorials/viewing-electrostatic-potential.html @@ -8,7 +8,7 @@ - Viewing Electrostatic Potential Maps — Avogadro 1.98.1 documentation + Viewing Electrostatic Potential Maps — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -119,6 +119,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tutorials/viewing-molecular-orbitals.html b/docs/tutorials/viewing-molecular-orbitals.html index 78451628..3e8ef4e8 100644 --- a/docs/tutorials/viewing-molecular-orbitals.html +++ b/docs/tutorials/viewing-molecular-orbitals.html @@ -8,7 +8,7 @@ - Viewing Molecular Orbitals — Avogadro 1.98.1 documentation + Viewing Molecular Orbitals — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/tutorials/viewing-vibrations.html b/docs/tutorials/viewing-vibrations.html index 833fa0b2..43f2c82a 100644 --- a/docs/tutorials/viewing-vibrations.html +++ b/docs/tutorials/viewing-vibrations.html @@ -8,7 +8,7 @@ - Viewing Vibrations — Avogadro 1.98.1 documentation + Viewing Vibrations — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/whats-new-in-avogadro-2/index.html b/docs/whats-new-in-avogadro-2/index.html index 2cf28bc6..d01f0acd 100644 --- a/docs/whats-new-in-avogadro-2/index.html +++ b/docs/whats-new-in-avogadro-2/index.html @@ -8,7 +8,7 @@ - What’s New in Avogadro 2 — Avogadro 1.98.1 documentation + What’s New in Avogadro 2 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/whats-new-in-avogadro-2/interface-changes.html b/docs/whats-new-in-avogadro-2/interface-changes.html index 26e448c9..20a45db4 100644 --- a/docs/whats-new-in-avogadro-2/interface-changes.html +++ b/docs/whats-new-in-avogadro-2/interface-changes.html @@ -8,7 +8,7 @@ - Interface Changes — Avogadro 1.98.1 documentation + Interface Changes — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/docs/whats-new-in-avogadro-2/major-new-features.html b/docs/whats-new-in-avogadro-2/major-new-features.html index 008e3f95..64efda62 100644 --- a/docs/whats-new-in-avogadro-2/major-new-features.html +++ b/docs/whats-new-in-avogadro-2/major-new-features.html @@ -8,7 +8,7 @@ - Major New Features — Avogadro 1.98.1 documentation + Major New Features — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/genindex.html b/genindex.html index 3401eaa6..a7e8dbe1 100644 --- a/genindex.html +++ b/genindex.html @@ -7,7 +7,7 @@ - Index — Avogadro 1.98.1 documentation + Index — Avogadro 1.99.0 documentation @@ -37,7 +37,7 @@ - + @@ -118,6 +118,14 @@ + + + + + + + +

    Avogadro

    @@ -3771,6 +3779,8 @@

    A

  • Avogadro::QtGui::ToolPlugin::registerCommand (C++ function)
  • Avogadro::QtGui::ToolPlugin::registerCommands (C++ function) +
    • +
  • Avogadro::QtGui::ToolPlugin::requestActiveDisplayTypes (C++ function)
  • Avogadro::QtGui::ToolPlugin::setActiveWidget (C++ function)
    • diff --git a/index.html b/index.html index a2d4cffb..6ba27978 100644 --- a/index.html +++ b/index.html @@ -8,7 +8,7 @@ - Install — Avogadro 1.98.1 documentation + Install — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -120,6 +120,14 @@ + + + + + + + +

    Avogadro

    @@ -479,7 +487,7 @@

    Install#<

    MacOS

    -

    Download DMG

    +

    Download DMG

    Download Nightly Build

    @@ -492,7 +500,7 @@

    Install#<

    Windows

    -

    Download Installer

    +

    Download Installer

    Download Nightly Build

    @@ -505,7 +513,7 @@

    Install#<

    Linux

    -

    Download AppImage

    +

    Download AppImage

    Build from source

    diff --git a/install/build.html b/install/build.html index b4645f86..99ae8e5f 100644 --- a/install/build.html +++ b/install/build.html @@ -8,7 +8,7 @@ - Building Source Code — Avogadro 1.98.1 documentation + Building Source Code — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/install/index.html b/install/index.html index 9cb32be6..8383bded 100644 --- a/install/index.html +++ b/install/index.html @@ -8,7 +8,7 @@ - Install — Avogadro 1.98.1 documentation + Install — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -471,13 +479,13 @@

    Install#

    -

    In addition to installing the latest release (1.98.1), there are nightly builds and anyone can build Avogadro from source code.

    +

    In addition to installing the latest release (1.99.0), there are nightly builds and anyone can build Avogadro from source code.

    MacOS

    -

    Download DMG

    +

    Download DMG

    Download Nightly Build

    @@ -488,7 +496,7 @@

    Windows

    -

    Download Installer

    +

    Download Installer

    Download Nightly Build

    @@ -499,7 +507,7 @@

    Linux

    -

    Download AppImage Download Flatpak

    +

    Download AppImage Download Flatpak

    Download Nightly AppImage diff --git a/install/versions/index.html b/install/versions/index.html index 00a5096d..d114135d 100644 --- a/install/versions/index.html +++ b/install/versions/index.html @@ -8,7 +8,7 @@ - Version History — Avogadro 1.98.1 documentation + Version History — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/install/versions/v194.html b/install/versions/v194.html index f15812f4..4873ecae 100644 --- a/install/versions/v194.html +++ b/install/versions/v194.html @@ -8,7 +8,7 @@ - Release Notes v1.94.0 — Avogadro 1.98.1 documentation + Release Notes v1.94.0 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    diff --git a/install/versions/v195.html b/install/versions/v195.html index 34a9c74d..1b3fdc83 100644 --- a/install/versions/v195.html +++ b/install/versions/v195.html @@ -8,7 +8,7 @@ - Release Notes v1.95.0 — Avogadro 1.98.1 documentation + Release Notes v1.95.0 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -485,7 +493,7 @@

    Release Notes v1.95.0#

    -

    Aug 16, 2021

    +

    16 Aug 2021

    Changes#

    We are pleased to announce the latest release of Avogadro, including piles of bug fixes and feature enhancements. diff --git a/install/versions/v1951.html b/install/versions/v1951.html index f2e812af..f5c8fac1 100644 --- a/install/versions/v1951.html +++ b/install/versions/v1951.html @@ -8,7 +8,7 @@ - Release Notes v1.95.1 — Avogadro 1.98.1 documentation + Release Notes v1.95.1 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -485,7 +493,7 @@

    Release Notes v1.95.1#

    -

    Aug 26, 2021

    +

    26 August 2021

    This release fixes several bugs in the recent 1.95.0 release and is recommended for all users.

    Thanks to @drew-parsons and @yurivict for prompt bug reports!

    diff --git a/install/versions/v196.html b/install/versions/v196.html index ae50ef1f..13ba72ee 100644 --- a/install/versions/v196.html +++ b/install/versions/v196.html @@ -8,7 +8,7 @@ - Release Notes v1.96.0 — Avogadro 1.98.1 documentation + Release Notes v1.96.0 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -485,7 +493,7 @@

    Release Notes v1.96.0#

    -

    June 2, 2022

    +

    2 June 2022

    Changes#

    We are pleased to announce the latest release of Avogadro, including piles of bug fixes and feature enhancements, including contributions from @aerkiaga as part of Google Summer of Code. diff --git a/install/versions/v197.html b/install/versions/v197.html index e3bc9900..4f61b30d 100644 --- a/install/versions/v197.html +++ b/install/versions/v197.html @@ -8,7 +8,7 @@ - Release Notes v1.97.0 — Avogadro 1.98.1 documentation + Release Notes v1.97.0 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -485,7 +493,7 @@

    Release Notes v1.97.0#

    -

    Jul 21, 2022

    +

    21 July 2022

    We are pleased to announce the latest release of Avogadro, including piles of bug fixes and many feature enhancements, including contributions from @aerkiaga as part of Google Summer of Code. Thanks to many for suggestions, bug reports, and discussions.

    Draft developer documentation can be found at https://two.avogadro.cc

    diff --git a/install/versions/v198.html b/install/versions/v198.html index 2cf90263..5078d92b 100644 --- a/install/versions/v198.html +++ b/install/versions/v198.html @@ -8,7 +8,7 @@ - Release Notes v1.98.0 — Avogadro 1.98.1 documentation + Release Notes v1.98.0 — Avogadro 1.99.0 documentation @@ -38,7 +38,7 @@ - + @@ -121,6 +121,14 @@ + + + + + + + +

    Avogadro

    @@ -485,6 +493,7 @@

    Release Notes v1.98.0#

    +

    26 October 2023

    🌟 Highlights (tldr)#

      diff --git a/install/versions/v1981.html b/install/versions/v1981.html new file mode 100644 index 00000000..7c2ff8df --- /dev/null +++ b/install/versions/v1981.html @@ -0,0 +1,607 @@ + + + + + + + + + + + Release Notes v1.98.1 — Avogadro 1.99.0 documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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      Release Notes v1.98.1#

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      2 November 2023

      +

      This is a bug-fix release, particularly for Windows users, removing a filename filter that affected opening and saving files.

      +

      This also includes the openbabel-3.dll which was left out of Windows releases.

      +
      +

      🐛 Bug Fixes#

      +
        +

      • Make sure to grab openbabel*.dll on Windows package @ghutchis

        • +

      • Migrated typedefs and changed const to constexpr @Atharva-Kanherkar

        • +

      • Fix Python module install dir @antonio-rojas

        • +

      • Revert validation of filenames. @ghutchis

        • +

      • Parsing orca output would crash when swapping orbitals @ghutchis

        • +
      +
      +
      +

      🧰 Maintenance#

      +
        +

      • Add workflow concurrency - should stop builds during quick changes @ghutchis

        • +

      • vtk: Add missing OpenGL link target @antonio-rojas

        • +
      +
      +
      +

      📚 Translations#

      +
        +

      • Translations update from Hosted Weblate @weblate

        • +

      • Automated translation updates @github-actions

        • +
      +
      +
      +

      Credits#

      +

      Thanks to many contributors, including: @Atharva-Kanherkar, @antonio-rojas, @atharrrva15, @ghutchis, @github-actions, @ovari, @weblate, Alejandro Díaz-Moscoso and Martin Slavík

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      + On this page +
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      + + + + + + + + \ No newline at end of file diff --git a/install/versions/v199.html b/install/versions/v199.html new file mode 100644 index 00000000..1d3b8922 --- /dev/null +++ b/install/versions/v199.html @@ -0,0 +1,708 @@ + + + + + + + + + + + Release Notes v1.99.0 — Avogadro 1.99.0 documentation + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +
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      Release Notes v1.99.0#

      +

      10 February 2024

      +
      +

      🌟 Highlights (tldr)#

      +
        +

      • Further improvements to the new optimization framework, including default integrated Open Babel force fields (MMFF94, UFF, GAFF)

        • +

      • New toolbar icons with light / dark theme from @matterhorn103

        • +

      • Significantly faster molecular and orbital surfaces

        • +

      • Vibrational spectra plotting

        • +

      • Support for installing Python packages with plugins via pip or conda

        • +

      • Improved selection of conda environments

        • +

      • Conformer search dialog through Open Babel

        • +

      • Improved template tool for inserting ligands and functional groups

        +
          +

        • Significant improvements from @nbehrnd for the ligand library

          • +
        +
        • +

      • Logging debugging / error messages to a file for Windows users

        • +
      +
      +
      +

      ✨ Features#

      +
        +

      • Add optional energy / optimize code that links Open Babel @ghutchis

        • +

      • Update tool plugins to set icon as light / dark theme @ghutchis

        • +

      • Modern tool icons @matterhorn103

        • +

      • Add confirmation dialog to install with conda or pip @ghutchis

        • +

      • Add support for first launch dialog and conda environments @ghutchis

        • +

      • Add red = a, blue = b, green = c color axes for unit cells @ghutchis

        • +

      • Vibrational spectra plot @ghutchis

        • +

      • Add UniqueID atom label type @ghutchis

        • +

      • Add ethylene, ethyne, and phosphate standard functional groups @ghutchis

        • +

      • Improved python configure dialog @ghutchis

        • +

      • Adding support for bond label in base classes and CJSON @ghutchis

        • +

      • Add “…” indicator for display types with settings @ghutchis

        • +

      • Split ligands and functional groups in the template tool @ghutchis

        • +

      • Added copy and export feature to property tables @Surajjalpun2002

        • +

      • Add initial support for copy from tables @ghutchis

        • +

      • Add conformer search box @ghutchis

        • +

      • Add template library to insert ligands or functional groups @ghutchis (#1456)

        • +

      • Add support for Hall number and space group to CJSON read/write @ghutchis (#1440)

        • +

      • Add new MessagePack version of CJSON @ghutchis (#1452)

        • +

      • Add a message handler to grab debug / warnings on Windows @ghutchis

        • +

      • Save and load the camera modelView and projection matrix @ghutchis

        • +
      +
      +
      +

      🐛 Bug Fixes#

      +
        +

      • Fixed typo in setDefaultPythonInterpretor() @matterhorn103 (#1583)

        • +

      • Fix Mac builds @ghutchis (#1522)

        • +

      • Fix quantum surface max cutoff for diffuse functions @ghutchis (#1556)

        • +

      • Change “Insert fragment” ⇒ “Insert molecule” by popular request @ghutchis (#1519)

        • +

      • Fix parsing XYZ files with tabs between columns @ghutchis (#1513)

        • +

      • Fix bug with incorrect Unicode characters added to labels @ghutchis (#1588)

        • +

      • Fix for Wayland @matterhorn103 (#1577)

        • +

      • Fixed crash with angle properties on an empty molecule @secretkontributer (#1566)

        • +

      • Fix density color crash @ghutchis (#1537)

        • +

      • Fix crash in forcefields - check if method is valid before using it @ghutchis (#1526)

        • +

      • Fix for first item in ordered plugin dialog being empty @matterhorn103 (#1523)

        • +

      • Fix crash with “copy as” and an empty molecule @ghutchis (#1521)

        • +

      • Turn off Color Opacity Map unless a VTK widget is active @ghutchis (#1509)

        • +

      • Make sure to automatically load the “Meshes” display type @ghutchis (#1508)

        • +

      • If no partial charges are assigned, set them @ghutchis (#1502)

        • +

      • Fix potential crashes in selection commands @ghutchis (#1499)

        • +

      • Fix vibration animation @ghutchis (#1487)

        • +

      • Generate the density matrix if needed for the electron density surface @ghutchis (#1482)

        • +

      • Fix empty window showing up for commands without an option dialog @ghutchis (#1468)

        • +

      • Save partial charges and properly read them from CJSON @ghutchis (#1467)

        • +

      • Don’t show PNG files in the filter dialog @ghutchis (#1462)

        • +

      • Fix GFN-FF energy - redirect GFN-FF output through a hack @ghutchis (#1454)

        • +

      • Fixup PDB reading with non-standard MD files (no element column) @ghutchis (#1450)

        • +

      • Fix atomic numbers from Orca - it would read electrons not symbols @ghutchis (#1451)

        • +

      • Fix linear molecular template @ghutchis (#1474)

        • +

      • Avoid segfaulting while manipulating carbon bonds/hydrogens @Makiah (#1493)

        • +

      • Reduce ambiguity of “Export” toolbar button @matterhorn103 (#442)

        • +

      • Ensure that title bar correctly displays active molecule file @Makiah (#440)

        • +
      +
      +
      +

      🐍 Scripting / Plugin Improvements#

      +
        +

      • Allow scripts to add properties (orbitals, vibrations, cubes) @ghutchis

        • +

      • Add support for navigator commands - rotate, translate, zoom @ghutchis

        • +

      • Windows: Standardize plugin location based on forum feedback @ghutchis

        • +

      • Add some additional Python classes including cjson and connect @ghutchis

        • +

      • Always supply cjson to scripts @ghutchis

        • +

      • If userOptions specifies an order, use that to sort the form @ghutchis

        • +

      • Check script –menupath for {} priority numbers @ghutchis

        • +

      • Add a “text” option for scripts to add text labels / help @ghutchis

        • +
      +
      +
      +

      🚀 Performance Improvements#

      +
        +

      • Skip calculating orbital / surface points too far apart (e.g., negligible) @ghutchis

        +
          +

        • Leads to 2-3x faster surface generation

          • +
        +
        • +
      +
      +
      +

      🧰 Builds / Maintenance#

      +
        +

      • Package OpenSSL for Windows @ghutchis

        • +

      • Update Eigen cmake header references @ghutchis (#1544)

        • +

      • Add Qt6 build tests @ghutchis (#1547)

        • +

      • Update to cibuildwheel for Python 3.12 @ghutchis (#1546)

        • +

      • Fix include of avogadrocoreexport.h @ghutchis (#1504)

        • +

      • Add specialization for char* and MatrixXf types @ghutchis (#1494)

        • +

      • Install ligand and functional group fragments @ghutchis (#1460)

        • +

      • Make sure to copy libopenbabel on Mac for CPack @ghutchis

        • +
      +
      +
      +

      📚 Translations#

      +
        +

      • Correct typo @Acylation (#1553)

        • +

      • Update Australian and Canadian localization from GB version @ghutchis (#1453)

        • +

      • Translations update from Hosted Weblate @weblate

        • +

      • Automated translation updates @github-actions

        • +

      • Fix a few remaining cases of … instead of ellipsis character @ghutchis (#1458)

        • +
      +
      +
      +

      Credits#

      +

      Thanks to many contributors, including: @Acylation, @Azaathooth, @IagoEmanuel15, @ImgBotApp, @Makiah, @NorwayFun, @Surajjalpun2002, @alchemistcai, @bitigchi, @dependabot, @dependabot[bot], @ghutchis, @github-actions, @hakkikonu, @imgbot, @imitrichev, @joerivan, @koenr, @matterhorn103, @nbehrnd, @ovari, @research11111, @secretkontributer, @tacitcoast, @weblate, Alejandro Díaz-Moscoso, Eisuke Kawashima, Ivanushka, LibreTranslate, Remus-Gabriel Chelu, Weblate Translation Memory and gallegonovato

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      +
      + On this page +
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      + +
      + + +
      + + + + + + Edit on GitHub + + + +
      +
      + +
      + + +
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      + +
      + +
      +
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      + + + + + + + + \ No newline at end of file diff --git a/objects.inv b/objects.inv index 8647b2235310ae8d848f0511e3ff19ec451c78ad..f51a0be90ac0ddb631ef74f2e5377f7422bfd2b7 100644 GIT binary patch delta 93727 zcmZU)V{jl{v@SfcZQHgpF($Tc+vtg%Ol)&v+qP|IVq?NP@3}v|`p&KD+E1_5-MjXm z)$3VWnuXk$h5Yp$jE9jqUPKH6*uv=+(VNNX}a`5kmLe3V0ZT+^_yt=``yUuVm(vXN`?wQ<7ZK`=Mk_lJZj1(W@sh z6K&d==E&cJ6e%gpF}Q#!(Q;vfFFgo<+YbM|PVNtSpnhT;wkWJ4b?HV3I~Eb`G-ez& zc<`yyFj0LvOp`g5#cDlJSUmpiP-axbyp7^qXv5KoD#Td-n1j)2+uBOkltYk-6Fj#d zCpFQ7!lQe$%!%a|jUEfVWXLS#ZrJ+VmS9 zZ))ZOqU;5!ext131al20#Dem-^>-v#nTyj7C&ZeVTwlcC^*~E%C8gxC6V{6Eg(PYP z7=!zx1GOePts0DUDpEO6E%BP+KZr7$>CqP%9X~WLJO{A3WJ%&hZlFbW9R`or7E)N? zE5V@2h>Ni$3jzB~WGSkHwZKbW8aa?pXTxS5ji%|?K4Dc>NeMqmm7lBI{BT5Phvu`y zK>O{zS}mGjo0V+FQ=aLSiPFhnTuCW|$uDAg32)T)IV*F>W5Qj&0vVgE)nDPYMaIyV z(9jALtaQu$;<4{ZySvUXxNk1z=q&Rm(XDW#Ty#1ZX~2hToYC$`e-KjxXhp&%ONuLg zHBkU_3d?P}PCcR;&YV2HlVs?fdh6jmOQg`)jq22*Ga}TQO7rGz@${B+X)1ffM1_3h 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"teach/diaxial_interactions.md", "teach/hcn_dipole.md", "teach/hydrogen_clusters.md", "teach/hydrogen_molecule.md", "teach/index.md", "teach/markovnikovs_rule.md", "teach/organic_hybridization.md", "teach/water.md"], "titles": ["Contributing Code", "Documenting Code", "<no title>", "Coding Conventions (C++)", "Thanks", "Contribute", "Coding Style (C++)", "Translations", "Class Avogadro::Core::Array", "Class Avogadro::Core::ArraySet", "Class Avogadro::Core::ArraySet::Holder", "Class Avogadro::Core::ArraySet::PlaceHolder", "Class Avogadro::Core::Atom", "Class Avogadro::Core::AtomTemplate", "Class Avogadro::Core::AtomTyper", "Class Avogadro::Core::AvoSpglib", "Class Avogadro::Core::BasisSet", "Class Avogadro::Core::Bond", "Class Avogadro::Core::BondTemplate", "Class Avogadro::Core::Color3f", "Class Avogadro::Core::CoordinateBlockGenerator", "Class Avogadro::Core::CoordinateSet", "Class Avogadro::Core::CrystalTools", "Class Avogadro::Core::Cube", "Class Avogadro::Core::Elements", "Class 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213, 215, 216, 217, 219, 220, 222, 223, 225, 228, 229, 231, 233, 237, 238, 239, 240, 247], "comment": [0, 6, 63, 83, 174, 243, 244, 246, 247], "doxygen": [0, 1, 30, 31, 157], "api": [0, 1, 49, 50, 76, 96, 122, 127, 130, 146, 239], "doc": [0, 30, 31, 52, 106, 157, 172, 243], "which": [0, 5, 14, 19, 29, 52, 63, 65, 69, 73, 74, 82, 83, 105, 122, 123, 126, 128, 131, 133, 145, 146, 168, 169, 170, 171, 172, 173, 174, 176, 177, 179, 183, 186, 187, 188, 201, 203, 205, 212, 216, 223, 229, 231, 232, 237, 238, 240, 244, 248, 249, 252, 258], "ultim": 0, "becom": [0, 101, 143, 258], "part": [0, 4, 28, 91, 92, 167, 169, 174, 179, 181, 209, 237, 238, 243, 244, 246, 247], "thi": [0, 1, 3, 5, 6, 8, 9, 13, 14, 16, 18, 19, 21, 22, 23, 24, 25, 27, 28, 29, 34, 38, 40, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 66, 67, 68, 69, 70, 72, 73, 74, 75, 76, 79, 80, 81, 82, 83, 85, 86, 89, 90, 93, 96, 97, 101, 104, 105, 107, 108, 110, 111, 112, 113, 114, 115, 116, 118, 119, 122, 123, 124, 125, 126, 127, 128, 129, 131, 133, 134, 135, 137, 145, 158, 159, 162, 167, 169, 170, 171, 172, 173, 174, 177, 179, 180, 182, 183, 184, 186, 187, 188, 189, 192, 198, 199, 201, 203, 204, 206, 207, 208, 209, 212, 213, 215, 216, 218, 220, 222, 223, 225, 228, 229, 232, 233, 234, 235, 237, 238, 239, 240, 244, 245, 246, 247, 251, 255, 257, 258], "websit": [0, 191, 193, 194, 209, 246, 247, 251], "featur": [0, 5, 7, 104, 124, 162, 181, 182, 186, 198, 199, 204, 206, 207, 208, 209, 212, 213, 218, 220, 234, 235, 236, 242], "header": [0, 1, 6, 34, 243, 247], "export": [0, 162, 189, 211, 237, 243, 248], "macro": [0, 96, 159], "privat": [0, 79, 244], "qt": [0, 1, 4, 6, 68, 71, 87, 88, 99, 106, 158, 165, 243, 247, 248], "namespac": [0, 1, 6, 162], "cast": [0, 4, 6, 21, 43, 76, 130, 160, 166, 220, 246], "aesthet": 0, "indent": [0, 159], "line": [0, 49, 63, 83, 84, 117, 128, 168, 169, 170, 171, 172, 173, 174, 183, 193, 222, 229, 238, 247, 248], "width": [0, 105, 119, 124, 128, 143, 160, 166, 247], "declar": [0, 1, 3, 170, 248], "variabl": [0, 66, 78, 86, 93, 96, 171, 215, 240], "whitespac": 0, "brace": 0, "parenthes": 0, "switch": [0, 183, 186, 203, 214, 243, 247, 248], "statement": 0, "break": [0, 172], "inherit": 0, "virtual": [0, 9, 10, 11, 14, 16, 25, 29, 33, 34, 38, 41, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 65, 76, 86, 97, 101, 102, 103, 106, 107, 110, 111, 112, 113, 114, 115, 116, 117, 121, 122, 123, 125, 126, 127, 128, 129, 130, 131, 137, 138, 139, 140, 142, 145, 146], "keyword": [0, 63, 83, 174, 209, 235], "referenc": [0, 16, 66, 86], "member": [0, 9, 10, 28, 29, 43, 44, 45, 63, 83, 86, 108, 124, 127, 128, 129, 132, 159, 162, 168, 170, 173, 174, 179, 199], "file": [0, 1, 3, 5, 7, 16, 29, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 65, 69, 70, 76, 78, 79, 93, 107, 110, 111, 112, 113, 114, 115, 131, 145, 160, 162, 163, 164, 167, 168, 170, 174, 175, 176, 181, 182, 185, 186, 187, 189, 195, 196, 198, 199, 202, 208, 209, 211, 212, 229, 230, 234, 235, 237, 238, 243, 244, 246, 247, 248], "name": [0, 1, 3, 16, 20, 23, 24, 25, 28, 29, 33, 34, 35, 44, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 68, 70, 73, 75, 76, 78, 83, 96, 97, 100, 101, 103, 105, 107, 110, 111, 112, 113, 114, 115, 135, 148, 149, 150, 151, 152, 153, 154, 155, 156, 160, 161, 163, 165, 168, 169, 170, 171, 172, 173, 174, 176, 177, 179, 181, 182, 196, 198, 211, 215, 216, 229, 230, 240, 247, 248], "rule": [0, 63, 80, 83, 160, 165, 174, 250, 252, 257], "class": [0, 3, 6, 174, 238, 244, 248], "descript": [0, 5, 14, 22, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 76, 83, 96, 97, 101, 107, 110, 111, 112, 113, 114, 115, 160, 163, 164, 165, 168, 170, 173, 174, 176, 246], "function": [0, 6, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 159, 162, 175, 176, 201, 209, 218, 223, 224, 238, 248], "us": [1, 3, 6, 8, 9, 12, 15, 16, 17, 19, 20, 21, 22, 23, 24, 25, 26, 28, 29, 34, 38, 39, 40, 42, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 72, 74, 75, 76, 79, 80, 83, 84, 85, 86, 91, 92, 96, 101, 104, 105, 106, 107, 108, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 121, 123, 124, 127, 128, 129, 132, 133, 135, 137, 139, 140, 141, 143, 158, 162, 165, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 181, 182, 183, 184, 186, 187, 191, 192, 194, 195, 199, 201, 203, 204, 205, 206, 207, 209, 211, 212, 214, 216, 218, 219, 220, 222, 223, 226, 227, 229, 230, 231, 236, 237, 238, 239, 240, 243, 244, 246, 247, 248, 249, 252, 254, 255, 256, 257, 258, 259, 260], "gener": [1, 3, 7, 14, 20, 21, 24, 25, 28, 29, 40, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 64, 65, 82, 84, 85, 93, 96, 104, 105, 107, 110, 111, 112, 113, 114, 115, 140, 142, 158, 162, 169, 175, 176, 177, 181, 182, 189, 191, 201, 204, 211, 212, 213, 218, 220, 223, 236, 238, 243, 244, 245, 246, 247, 248, 251], "javadoc": 1, "thei": [1, 3, 5, 7, 14, 52, 63, 65, 83, 85, 116, 137, 174, 176, 177, 179, 186, 190, 218, 220, 229, 240], "go": [1, 6, 76, 82, 101, 192, 194, 198, 215, 216, 220, 225, 240], "next": [1, 63, 83, 140, 170, 177, 183, 198, 214, 233, 236, 238], "all": [1, 4, 5, 6, 8, 9, 13, 22, 23, 24, 25, 27, 28, 29, 42, 49, 50, 52, 63, 66, 69, 76, 79, 82, 83, 90, 93, 96, 100, 104, 105, 122, 125, 127, 128, 129, 130, 133, 144, 146, 160, 162, 163, 166, 169, 172, 174, 176, 179, 182, 184, 194, 198, 199, 201, 204, 207, 211, 215, 218, 222, 223, 225, 228, 229, 232, 234, 236, 237, 239, 240, 244, 245, 252, 255], "should": [1, 3, 6, 9, 21, 23, 28, 29, 40, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 69, 73, 74, 76, 83, 85, 86, 90, 91, 92, 96, 97, 101, 105, 107, 110, 111, 112, 113, 114, 115, 118, 122, 124, 134, 135, 168, 169, 170, 173, 174, 176, 177, 179, 183, 203, 207, 214, 216, 229, 240, 244, 248, 256], "minimum": [1, 23, 29, 42, 50, 63, 83, 85, 177, 179, 214, 248], "brief": [1, 176], "one": [1, 3, 6, 14, 16, 20, 23, 25, 27, 28, 38, 49, 63, 76, 79, 83, 86, 96, 116, 118, 121, 135, 137, 169, 174, 179, 182, 183, 191, 192, 193, 199, 203, 209, 213, 215, 222, 229, 238, 248], "two": [1, 16, 27, 76, 85, 143, 167, 168, 172, 183, 187, 203, 213, 215, 219, 231, 243, 244, 246, 247, 248, 251, 254, 258, 260], "sentenc": 1, "explain": 1, "what": [1, 29, 44, 86, 96, 181, 198, 209, 213, 227], "intend": [1, 24, 52, 173, 179, 257], "purpos": [1, 3, 6, 52, 66, 116, 127, 137, 168, 179, 209], "i": [1, 3, 4, 5, 6, 8, 12, 13, 14, 15, 16, 17, 18, 19, 22, 23, 24, 25, 26, 27, 28, 29, 33, 34, 38, 39, 40, 41, 42, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 72, 73, 74, 76, 79, 82, 83, 85, 86, 89, 90, 91, 92, 93, 94, 95, 96, 97, 101, 103, 104, 105, 107, 108, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 122, 124, 125, 127, 128, 129, 130, 133, 134, 135, 137, 139, 143, 146, 158, 159, 160, 161, 162, 165, 167, 168, 169, 170, 171, 172, 173, 174, 176, 177, 179, 180, 182, 183, 184, 186, 187, 188, 189, 192, 193, 194, 198, 199, 201, 203, 204, 206, 207, 208, 209, 210, 212, 213, 214, 215, 216, 218, 219, 220, 222, 223, 225, 226, 227, 228, 229, 231, 233, 234, 236, 237, 238, 239, 240, 244, 245, 246, 247, 248, 251, 252, 255, 256, 257, 258, 260], "goe": [1, 6, 63, 83, 174, 240], "here": [1, 63, 82, 83, 167, 171, 172, 177, 179, 182, 183, 184, 186, 187, 188, 189, 191, 192, 209, 215, 232, 257, 258], "void": [1, 6, 8, 9, 13, 14, 16, 18, 19, 20, 21, 23, 25, 26, 27, 28, 29, 32, 34, 36, 37, 38, 40, 42, 43, 44, 45, 49, 52, 58, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 76, 78, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 96, 97, 99, 101, 104, 105, 106, 108, 109, 111, 113, 115, 116, 117, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 145, 146, 158, 159], "dosometh": [1, 6], "overview": [1, 6], "add": [1, 7, 23, 25, 27, 28, 29, 34, 38, 49, 50, 63, 80, 81, 82, 83, 86, 96, 97, 101, 105, 116, 117, 121, 125, 127, 128, 129, 137, 158, 160, 162, 165, 176, 177, 183, 188, 189, 209, 211, 213, 215, 218, 229, 238, 240, 243, 244, 245, 246, 247, 248, 249, 253, 260], "path": [1, 49, 52, 63, 64, 65, 73, 74, 76, 78, 79, 83, 84, 93, 100, 167, 169, 171, 174, 176, 177, 217, 238, 240, 244, 246, 247, 248], "user": [1, 4, 5, 24, 29, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 64, 65, 66, 69, 76, 79, 84, 85, 96, 97, 101, 105, 107, 110, 111, 112, 113, 114, 115, 163, 168, 169, 170, 171, 172, 173, 176, 177, 205, 213, 239, 240, 244, 245, 246, 247, 248], "appropri": [1, 6, 12, 17, 52, 63, 75, 83, 169, 171, 174, 177, 203, 240, 246], "point": [1, 6, 23, 42, 44, 64, 65, 72, 79, 84, 85, 105, 116, 119, 121, 122, 125, 129, 133, 135, 137, 138, 139, 141, 168, 171, 186, 207, 213, 219, 229, 232, 240, 247, 248, 249], "out": [1, 9, 16, 29, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 74, 83, 93, 107, 110, 111, 112, 113, 114, 115, 119, 125, 127, 177, 179, 183, 184, 203, 206, 215, 218, 221, 227, 237, 238, 248, 257], "altern": [1, 170], "similar": [1, 20, 96, 174, 179, 199, 203, 229], "ideal": [1, 15], "give": [1, 5, 8, 9, 21, 24, 40, 49, 119, 172, 179, 213, 248, 260], "some": [1, 5, 24, 29, 63, 65, 83, 86, 96, 116, 137, 162, 167, 168, 172, 174, 176, 177, 182, 184, 187, 199, 205, 237, 245, 247, 248, 255, 257, 258], "simpl": [1, 24, 32, 33, 37, 40, 41, 51, 63, 83, 177, 189, 199, 207, 240, 252], "exampl": [1, 5, 20, 118, 135, 162, 168, 169, 170, 173, 174, 179, 183, 184, 189, 199, 208, 209, 212, 213, 216, 217, 222, 226, 229, 233, 238, 240, 243, 247, 250, 252], "demonstr": [1, 199, 212], "core": [1, 3, 4, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 70, 83, 85, 86, 96, 107, 110, 111, 112, 113, 114, 115, 116, 117, 118, 122, 124, 125, 128, 129, 135, 137, 140, 143, 158, 160, 162, 174, 236, 246], "simplest": 1, "wai": [1, 86, 96, 179, 183, 189, 198, 204, 207, 209, 216, 228, 238, 239], "possibl": [1, 6, 22, 23, 50, 85, 172, 179, 205, 206, 240, 248, 251], "molequeu": [1, 3, 83, 160, 167, 174, 240, 243], "jsonrpcclient": 1, "h": [1, 3, 6, 20, 25, 50, 62, 64, 65, 66, 67, 68, 69, 72, 75, 77, 79, 83, 84, 90, 93, 99, 106, 108, 116, 117, 119, 121, 123, 126, 128, 142, 160, 161, 162, 168, 174, 179, 184, 186, 211, 218, 243, 247, 249, 251, 256, 258, 260], "client": [1, 67, 160, 164, 179], "The": [1, 4, 6, 12, 13, 14, 15, 16, 17, 18, 19, 20, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 37, 38, 39, 40, 41, 42, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 88, 90, 91, 92, 93, 96, 97, 98, 100, 101, 102, 103, 104, 105, 106, 107, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 133, 135, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 159, 162, 163, 165, 168, 169, 170, 172, 173, 174, 176, 177, 179, 182, 183, 186, 188, 190, 191, 192, 197, 198, 199, 201, 203, 204, 206, 207, 208, 209, 210, 212, 213, 215, 216, 218, 219, 220, 221, 222, 223, 225, 226, 227, 228, 229, 231, 233, 237, 238, 240, 249, 251], "submit": [1, 5, 62, 64, 65, 66, 69, 160, 164, 176, 183, 186], "call": [1, 8, 13, 14, 18, 19, 26, 28, 49, 52, 63, 64, 68, 69, 70, 73, 74, 76, 83, 85, 89, 90, 93, 96, 101, 105, 124, 128, 129, 135, 162, 163, 169, 170, 171, 172, 173, 174, 177, 206, 238, 240, 243, 246, 248, 258], "an": [1, 3, 5, 6, 12, 14, 15, 18, 19, 20, 23, 24, 25, 27, 28, 29, 32, 34, 37, 38, 40, 43, 44, 49, 50, 52, 62, 63, 65, 66, 68, 69, 70, 78, 79, 80, 83, 84, 85, 86, 89, 90, 91, 92, 93, 96, 104, 105, 106, 108, 116, 137, 138, 142, 158, 159, 162, 163, 168, 169, 170, 172, 173, 174, 176, 177, 179, 183, 184, 186, 189, 190, 191, 194, 198, 199, 201, 203, 204, 209, 212, 213, 214, 215, 217, 219, 220, 221, 222, 223, 227, 228, 229, 233, 234, 235, 238, 239, 240, 246, 247, 248, 251, 256, 257, 258, 260], "rpc": [1, 66, 69, 162, 243], "server": [1, 5, 62, 66, 67, 69, 93, 167, 231], "json": [1, 46, 63, 66, 76, 83, 84, 101, 114, 162, 167, 168, 169, 170, 171, 172, 173, 174, 176, 177, 205, 243, 248], "2": [1, 6, 16, 18, 20, 29, 63, 66, 83, 85, 133, 143, 160, 161, 167, 170, 174, 177, 181, 183, 186, 191, 194, 201, 205, 211, 214, 223, 226, 237, 238, 239, 240, 243, 246, 247, 249, 250, 256, 257, 258, 259], "0": [1, 6, 9, 11, 14, 15, 16, 19, 20, 22, 24, 27, 29, 40, 42, 44, 49, 63, 66, 73, 74, 76, 83, 96, 97, 101, 102, 103, 106, 119, 133, 135, 139, 141, 142, 143, 160, 161, 167, 168, 170, 172, 174, 176, 177, 180, 183, 186, 194, 201, 205, 206, 220, 223, 236, 238, 242, 245, 249, 255, 256, 260], "author": [1, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 48, 49, 50, 52, 54, 56, 58, 59, 60, 61, 63, 71, 75, 76, 77, 83, 85, 87, 88, 90, 98, 99, 101, 102, 103, 105, 114, 116, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159, 169, 174, 176, 179, 251], "marcu": [1, 2, 4, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 49, 50, 56, 71, 76, 77, 85, 87, 88, 90, 98, 99, 103, 105, 114, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159], "d": [1, 2, 4, 8, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 49, 50, 56, 63, 71, 76, 77, 83, 85, 87, 88, 90, 93, 98, 99, 103, 105, 108, 114, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159, 160, 161, 179, 244, 246, 247], "hanwel": [1, 2, 4, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 49, 50, 56, 71, 76, 77, 85, 87, 88, 90, 98, 99, 103, 105, 114, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159], "provid": [1, 14, 15, 19, 22, 23, 25, 26, 28, 29, 32, 37, 39, 42, 44, 52, 62, 63, 64, 65, 66, 67, 68, 69, 70, 75, 80, 83, 84, 86, 91, 92, 103, 104, 105, 119, 122, 124, 127, 130, 140, 146, 162, 168, 170, 171, 174, 176, 179, 187, 198, 199, 201, 204, 206, 207, 208, 209, 210, 213, 220, 223, 228, 233, 235, 238, 248], "To": [1, 12, 17, 52, 64, 66, 75, 169, 172, 179, 182, 203, 211, 216, 221, 222, 240], "creat": [1, 13, 18, 20, 22, 27, 29, 34, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 67, 79, 83, 84, 86, 91, 92, 96, 103, 105, 107, 108, 110, 111, 112, 113, 114, 115, 118, 131, 134, 135, 145, 170, 171, 174, 176, 177, 179, 183, 185, 188, 190, 199, 207, 208, 210, 211, 213, 217, 224, 232, 233, 234, 238, 240, 244, 246, 248, 249, 253, 254, 255, 256, 260], "connect": [1, 27, 62, 67, 69, 85, 96, 128, 167, 172, 179, 204, 228, 231, 232, 247], "method": [1, 6, 13, 18, 22, 24, 29, 43, 49, 52, 63, 64, 66, 68, 76, 79, 83, 85, 86, 91, 92, 96, 101, 103, 105, 118, 119, 135, 159, 168, 170, 174, 217, 218, 238, 243, 246, 248, 251], "follow": [1, 6, 20, 63, 83, 93, 143, 168, 169, 170, 171, 172, 173, 174, 177, 179, 186, 189, 215, 216, 240], "done": [1, 14, 25, 38, 40, 66, 118, 124, 134, 160, 164, 170, 172, 220, 234], "new": [1, 3, 5, 6, 7, 8, 13, 18, 27, 28, 29, 34, 40, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 67, 69, 76, 80, 82, 83, 90, 93, 96, 101, 103, 106, 107, 110, 111, 112, 113, 114, 115, 128, 129, 142, 159, 160, 167, 170, 172, 173, 175, 178, 181, 182, 190, 191, 197, 201, 203, 205, 206, 207, 211, 212, 216, 219, 220, 223, 224, 234, 237, 243, 244, 246, 247, 248, 249], "connecttoserv": 1, "myrpcserv": 1, "qjsonobject": [1, 62, 63, 83], "emptyrequest": 1, "qlatin1str": 1, "listqueu": 1, "sendrequest": 1, 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160, 161, 162, 165, 167, 168, 169, 171, 174, 179, 182, 183, 184, 187, 188, 191, 198, 199, 209, 211, 217, 218, 220, 240, 243, 245, 246, 248, 249], "public": [1, 3, 6, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 159, 244], "qobject": [1, 62, 63, 67, 68, 70, 75, 76, 80, 83, 85, 86, 87, 89, 93, 96, 97, 99, 100, 101, 102, 104], "end": [1, 3, 6, 8, 29, 44, 82, 96, 116, 117, 121, 122, 125, 131, 137, 145, 160, 161, 166, 183, 186, 198, 221, 222], "complet": [1, 28, 52, 62, 66, 69, 85, 118, 128, 164, 168, 169, 176, 186], "constructor": [1, 8, 16, 19, 25, 28, 29, 38, 63, 68, 73, 74, 83, 85, 86, 89, 90, 93], "more": [1, 3, 6, 25, 28, 38, 49, 63, 76, 83, 86, 96, 104, 105, 106, 116, 121, 124, 127, 135, 137, 162, 169, 173, 174, 175, 176, 179, 191, 198, 199, 204, 209, 212, 213, 215, 216, 218, 220, 228, 229, 233, 238, 239, 243, 244, 247, 248, 258], "construct": [1, 19, 20, 62, 65, 80, 84, 90, 96, 203, 207], "describ": [1, 14, 16, 63, 69, 83, 118, 168, 170, 173, 174, 179], "paramet": [1, 8, 14, 15, 16, 19, 22, 23, 25, 26, 28, 29, 33, 38, 39, 41, 42, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 64, 65, 66, 68, 69, 75, 76, 78, 79, 82, 84, 85, 86, 90, 91, 92, 93, 96, 101, 103, 106, 107, 110, 111, 112, 113, 114, 115, 116, 117, 119, 121, 122, 125, 127, 128, 129, 130, 135, 137, 140, 142, 143, 169, 170, 189, 205, 209, 215, 218, 220, 234, 247, 255], "input": [1, 9, 14, 22, 24, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 64, 65, 84, 85, 93, 96, 101, 105, 107, 110, 111, 112, 113, 114, 115, 131, 145, 158, 162, 163, 168, 169, 170, 173, 175, 176, 177, 181, 183, 193, 209, 238, 243, 244, 245, 247, 248], "job": [1, 62, 63, 64, 65, 66, 69, 83, 174], "param": [1, 167], "filenam": [1, 49, 50, 52, 63, 70, 78, 79, 83, 109, 160, 163, 164, 165, 167, 170, 174, 176, 248], "appear": [1, 63, 79, 83, 96, 174, 176, 182, 189, 209, 229], "work": [1, 4, 5, 7, 25, 104, 169, 179, 183, 191, 194, 206, 209, 212, 215, 237, 238, 239, 240, 247, 248], "directori": [1, 30, 31, 79, 157, 162, 240, 244, 248], "content": [1, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 83, 85, 105, 107, 110, 111, 112, 113, 114, 115, 116, 117, 121, 122, 128, 129, 137, 140, 158, 167, 174, 179], "specifi": [1, 14, 19, 20, 22, 23, 26, 28, 29, 34, 39, 49, 50, 52, 65, 78, 80, 84, 86, 91, 92, 93, 96, 105, 125, 127, 128, 129, 130, 135, 143, 168, 170, 171, 172, 173, 177, 179, 182, 184, 186, 187, 212, 229], "return": [1, 6, 9, 13, 14, 15, 16, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 37, 38, 39, 40, 41, 42, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 73, 74, 75, 76, 78, 79, 80, 82, 83, 85, 86, 88, 90, 91, 92, 93, 96, 97, 100, 101, 103, 104, 105, 107, 108, 110, 111, 112, 113, 114, 115, 116, 118, 119, 121, 122, 124, 125, 127, 128, 129, 130, 135, 137, 143, 159, 168, 171, 172, 207, 231, 253], "true": [1, 6, 9, 13, 15, 16, 18, 22, 25, 26, 27, 28, 29, 32, 37, 38, 39, 40, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 65, 66, 67, 68, 69, 70, 76, 83, 85, 86, 91, 92, 93, 96, 97, 101, 105, 107, 108, 110, 111, 112, 113, 114, 115, 122, 125, 127, 130, 135, 143, 160, 165, 168, 169, 170, 171, 172, 177], "wa": [1, 4, 28, 29, 62, 63, 66, 69, 70, 74, 76, 83, 85, 86, 101, 105, 125, 127, 174, 187, 189, 198, 203, 206, 233, 236, 238, 244], "successfulli": [1, 52, 62, 63, 66, 67, 76, 83, 85, 240, 247], "fals": [1, 6, 15, 16, 22, 25, 26, 28, 29, 32, 37, 38, 39, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 76, 83, 85, 86, 96, 97, 101, 105, 107, 110, 111, 112, 113, 114, 115, 122, 125, 127, 130, 135, 160, 165, 168, 170, 172, 174], "otherwis": [1, 15, 16, 22, 25, 26, 29, 38, 39, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 66, 68, 69, 76, 83, 96, 101, 107, 110, 111, 112, 113, 114, 115, 127, 173, 174, 179, 214, 231], "bool": [1, 8, 9, 13, 15, 16, 18, 22, 23, 25, 26, 27, 28, 29, 32, 34, 37, 38, 39, 40, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 76, 78, 83, 85, 86, 87, 91, 92, 93, 96, 97, 99, 100, 101, 105, 106, 107, 108, 110, 111, 112, 113, 114, 115, 118, 122, 124, 125, 127, 130, 132, 133, 134, 135, 141, 143, 158, 159, 160, 161], "setinputfil": 1, "const": [1, 3, 6, 8, 9, 10, 11, 13, 14, 16, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 33, 34, 35, 36, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 73, 74, 76, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 90, 91, 92, 93, 96, 97, 99, 100, 101, 102, 103, 104, 105, 106, 107, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 145, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158], "qstring": [1, 3, 62, 63, 64, 65, 66, 68, 69, 70, 75, 76, 78, 79, 80, 81, 83, 84, 88, 93, 96, 97, 100, 101, 102, 103, 105, 109], "yunu": [2, 4], "ak": [2, 4], "ahmad": [2, 4], "abdolmaleki": [2, 4], "acun": [2, 4], "robert": [2, 4], "adam": [2, 4, 22], "b": [2, 4, 6, 20, 22, 27, 29, 42, 48, 54, 60, 86, 92, 96, 106, 141, 160, 161, 170, 174, 179, 192, 246, 248, 255], "adarsh": [2, 4, 48, 54, 60], "aditya": [2, 4], "niskala": [2, 4], "airaha": [2, 4], "alex": [2, 4, 243, 248], "bryce": [2, 4], "anderson": [2, 4], "andre870": [2, 4, 243], "hub": [2, 4, 243], "patrick": [2, 4, 59], "averi": [2, 4, 59], "ty": [2, 4], "balduf": [2, 4], "heiko": [2, 4], "becker": [2, 4], "eric": [2, 4], "berquist": [2, 4, 243, 248], "ludovico": [2, 4], "besana": [2, 4], "nathan": [2, 4], "bonnemain": [2, 4], "brohovski": [2, 4], "libor": [2, 4], "bukata": [2, 4], "andi": [2, 4], "chandler": [2, 4], "guillaum": [2, 4], "charifi": [2, 4], "yuri": [2, 4], "chornoivan": [2, 4], "christian": [2, 4], "clauss": [2, 4], "david": [2, 4], "cole": [2, 4], "andrea": [2, 4], "cord": [2, 4], "landwehr": [2, 4], "ddinghoya": [2, 4, 248], "diazonium": [2, 4], "amanda": [2, 4], "dumi": [2, 4], "sebastian": [2, 4], "ehlert": [2, 4], "aritz": [2, 4], "erkiaga": [2, 4], "o\u011fuz": [2, 4, 243], "ersen": [2, 4, 243], "bori": [2, 4], "faur": [2, 4], "nicola": [2, 4], "fella": [2, 4], "dominik": [2, 4], "florjan": [2, 4], "funnycod": [2, 4], "alessandro": [2, 4], "genova": [2, 4], "chri": [2, 4], "harri": [2, 4], "andr\u00e9": [2, 4], "henao": [2, 4], "brenton": [2, 4], "horn": [2, 4], "geoff": [2, 4, 75], "hutchison": [2, 4, 75, 176, 206], "takaki": [2, 4], "iekura": [2, 4], "milo": [2, 4], "ivir": [2, 4], "johansson": [2, 4], "bert": [2, 4], "de": [2, 4, 220], "jong": [2, 4], "da": [2, 4], "jott": [2, 4], "xavier": [2, 4], "jouvenot": [2, 4], "gustavo": [2, 4], "sousa": [2, 4], "jr": [2, 4], "atharva": [2, 4], "kanherkar": [2, 4], "eisuk": [2, 4, 244, 248], "kawashima": [2, 4, 244, 248], "brad": [2, 4], "king": [2, 4], "kovalevartem": [2, 4, 243], "anubhav": [2, 4], "kumar": [2, 4, 58], "karol": [2, 4], "m": [2, 4, 12, 13, 17, 18, 25, 36, 38, 42, 65, 78, 91, 92, 94, 95, 96, 179, 188, 191], "langner": [2, 4], "justin": [2, 4], "lecher": [2, 4], "maxim": [2, 4, 71], "leroi": [2, 4], "artem": [2, 4], "m3cg": [2, 4, 246, 248], "emin": [2, 4], "macanovi\u0107": [2, 4], "anna": [2, 4], "malinovskaia": [2, 4], "mandelli": [2, 4], "marco": [2, 4], "marchi\u00f2": [2, 4], "salif": [2, 4, 248], "mehm": [2, 4], "barri": [2, 4], "moor": [2, 4], "anton": [2, 4], "morgunov": [2, 4], "julien": [2, 4], "nabet": [2, 4], "allan": [2, 4], "nordh\u00f8i": [2, 4], "norwayfun": [2, 4, 247, 248], "officerbrasida": [2, 4, 248], "drew": [2, 4, 245, 246], "parson": [2, 4, 245, 246], "ethan": [2, 4, 259], "pavolik": [2, 4], "pietro026": [2, 4, 243], "sagan": [2, 4], "potenza": [2, 4], "suleyman": [2, 4], "poyraz": [2, 4], "michael": [2, 4], "quevillon": [2, 4], "reza": [2, 4], "koen": [2, 4], "roggeman": [2, 4], "antonio": [2, 4], "roja": [2, 4], "silv\u00e9rio": [2, 4], "santo": [2, 4], "sanje": [2, 4], "schamnad": [2, 4], "dillon": [2, 4], "schultz": [2, 4], "oleg": [2, 4], "shparber": [2, 4], "prabhjot": [2, 4], "singh": [2, 4], "adrea": [2, 4], "snow": [2, 4], "stefanbruen": [2, 4, 248], "sturmlechn": [2, 4], "tanuj": [2, 4, 58], "kavin": [2, 4, 243], "teenakul": [2, 4, 243], "suraj": [2, 4], "thakur": [2, 4], "tiborgi": [2, 4, 247], "konstantin": [2, 4], "tokarev": [2, 4], "regen": [2, 4], "tsai": [2, 4], "tsuki": [2, 4], "\u00f6mer": [2, 4], "fad\u0131l": [2, 4], "usta": [2, 4, 247], "shiv": [2, 4], "upadhyai": [2, 4], "allison": [2, 4, 52, 61, 101, 102], "vacanti": [2, 4, 52, 61, 101, 102], "tim": [2, 4, 116], "vandermeersch": [2, 4, 116], "verytastytomato": [2, 4, 243], "br\u00e1": [2, 4], "washington": [2, 4], "oskar": [2, 4], "weser": [2, 4], "raymond": [2, 4], "wooninck": [2, 4], "lihan": [2, 4], "zhu": [2, 4], "zulfikar": [2, 4], "alexrsoar": [2, 4, 244], "angrybird87": [2, 4], "atharrrva15": [2, 4], "balducci": [2, 4, 248], "crlambda": [2, 4, 243], "c\u03b1\u03b5s\u03b1\u027e": [2, 4], "danialk03": [2, 4, 244], "dnandz": [2, 4, 243], "dtels": [2, 4, 248], "dvermd": [2, 4, 243], "ejatjon": [2, 4, 246], "zero": [2, 4, 22, 24, 29, 63, 80, 83, 96, 119, 170, 174, 177, 221, 229, 248], "hgokhanb": [2, 4, 248], "joanavieira8": [2, 4, 243], "koffevar": [2, 4, 243], "matterhorn103": [2, 4, 247, 248], "mirosnik1": [2, 4, 243], "mrmrcl": [2, 4, 245], "nbehrnd": [2, 4, 248], "nicolazanna": [2, 4, 248], "octyc": [2, 4, 246], "ovari": [2, 4, 245, 246, 247, 248], "research11111": [2, 4], "serk": [2, 4], "simmon": [2, 4, 248], "tiagomalho": [2, 4, 243], "tictactoe101": [2, 4, 248], "udopton": [2, 4, 243], "urkawa": [2, 4, 246], "vamsibarnala": [2, 4, 248], "victordargallo": [2, 4], "wb957": [2, 4], "weblat": [2, 4, 7, 243, 244, 245, 246, 247, 248], "willow88": [2, 4, 243], "xyz": [2, 4, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 107, 110, 111, 112, 113, 114, 115, 168, 169, 170, 173, 203, 205, 237, 243], "yavgech": [2, 4, 243], "freebsd": [2, 4, 241], "ond\u0159ej": [2, 4], "\u010dert\u00edk": [2, 4], "don": [3, 6, 69, 220, 244, 248], "t": [3, 6, 8, 9, 21, 38, 43, 45, 69, 130, 143, 148, 179, 184, 186, 194, 198, 209, 220, 244, 245, 248], "except": [3, 6, 29, 168, 170, 179, 248], "assert": [3, 179], "product": [3, 198, 258], "never": [3, 170, 179], "crash": [3, 63, 83, 169, 174, 236, 238, 244, 246, 247, 248], "prefer": [3, 50, 63, 83, 135, 168, 172, 174, 193, 207, 209, 214, 247], "solut": 3, "from": [3, 4, 8, 16, 19, 22, 23, 24, 25, 27, 28, 29, 30, 31, 34, 38, 40, 44, 49, 50, 52, 62, 63, 66, 68, 69, 70, 76, 79, 82, 83, 84, 85, 86, 91, 92, 96, 101, 105, 108, 116, 117, 119, 121, 122, 125, 127, 128, 129, 130, 135, 137, 138, 139, 157, 159, 162, 167, 169, 170, 172, 173, 174, 175, 176, 177, 179, 181, 182, 183, 184, 187, 188, 190, 191, 193, 196, 198, 199, 201, 203, 206, 208, 209, 210, 213, 215, 216, 219, 221, 222, 223, 229, 232, 233, 234, 235, 236, 238, 239, 240, 241, 243, 244, 245, 246, 247, 248, 251, 252, 257], "librari": [3, 5, 52, 104, 143, 176, 182, 229, 240, 244, 248], "over": [3, 183, 187, 193, 194, 197, 205, 220, 229, 231, 236, 238, 243, 244], "boost": [3, 240], "depend": [3, 4, 106, 172, 182, 199, 209, 220, 240, 243, 249, 257], "In": [3, 7, 28, 63, 83, 85, 169, 172, 174, 179, 183, 186, 201, 205, 206, 216, 223, 232, 238, 240, 241, 249], "11": [3, 32, 179, 183], "17": [3, 37, 240], "where": [3, 6, 19, 23, 24, 25, 27, 28, 38, 63, 73, 74, 83, 105, 162, 167, 171, 172, 174, 179, 184, 195, 203, 213, 218, 229, 233, 238, 240, 248, 258], "necessari": [3, 6, 8, 97, 179, 213, 216, 220], "offer": [3, 4, 96, 174, 179, 203, 206, 239], "avo_overrid": 3, "avo_fin": 3, "defin": [3, 42, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 83, 88, 107, 110, 111, 112, 113, 114, 115, 116, 122, 137, 141, 142, 143, 169, 171, 174, 179, 182, 183, 186, 207, 229, 238], "overrid": [3, 25, 29, 33, 38, 41, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 71, 72, 73, 74, 76, 77, 78, 80, 83, 84, 85, 86, 87, 88, 89, 90, 93, 96, 97, 98, 99, 100, 101, 105, 106, 107, 110, 111, 112, 113, 114, 115, 116, 117, 121, 123, 125, 126, 127, 128, 129, 131, 137, 138, 139, 140, 144, 145, 147, 159, 174, 247], "final": [3, 62, 96, 169, 172, 191, 198, 248], "minim": [3, 63, 83, 141, 174, 191], "third": [3, 183, 240], "parti": [3, 179, 240], "think": [3, 168, 239, 251], "carefulli": [3, 76], "befor": [3, 6, 13, 18, 25, 38, 52, 63, 67, 83, 86, 93, 96, 108, 177, 179, 188, 198, 214, 215, 220, 229, 234, 240, 248], "ad": [3, 7, 25, 27, 29, 34, 38, 49, 62, 63, 82, 83, 86, 103, 121, 125, 127, 128, 129, 160, 165, 177, 189, 190, 191, 199, 201, 216, 223, 229, 231, 238, 243, 248], "templat": [3, 7, 8, 9, 10, 13, 14, 18, 21, 43, 45, 63, 65, 66, 69, 83, 91, 92, 118, 130, 135, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156, 174, 201, 223, 224, 244, 248], "sens": [3, 69], "alwai": [3, 6, 69, 175, 179, 214, 244, 246, 247], "form": [3, 15, 27, 84, 96, 105, 128, 168, 169, 170, 173, 174, 179, 198, 215, 218, 244, 246, 247, 251, 258], "project": [3, 5, 6, 30, 31, 119, 139, 157, 160, 166, 183, 186, 208, 211, 239, 240, 244, 248, 251], "someth": [3, 85, 101, 171, 206], "type": [3, 6, 8, 9, 10, 11, 13, 14, 16, 18, 19, 21, 22, 23, 25, 26, 29, 33, 34, 38, 41, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 66, 68, 72, 76, 78, 79, 82, 83, 86, 90, 91, 92, 96, 97, 100, 103, 104, 107, 108, 110, 111, 112, 113, 114, 115, 118, 119, 122, 125, 127, 130, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156, 159, 160, 161, 166, 169, 171, 173, 174, 175, 176, 177, 181, 182, 190, 191, 192, 195, 198, 201, 203, 207, 209, 211, 212, 215, 216, 219, 223, 227, 229, 232, 233, 238, 244, 252], "myclass": 3, "sourc": [3, 4, 6, 85, 134, 160, 162, 166, 184, 203, 206, 239, 241, 243, 247], "special": [3, 76, 179], "first": [3, 8, 20, 23, 24, 25, 28, 29, 45, 52, 63, 66, 69, 80, 83, 85, 86, 96, 105, 128, 129, 143, 169, 170, 174, 183, 188, 203, 209, 212, 233, 247, 251], "myapihead": 3, "our": [3, 4, 7, 116, 117, 121, 122, 125, 127, 128, 129, 130, 137, 138, 139, 168, 179, 184, 191, 239, 258], "molecul": [3, 12, 13, 14, 15, 16, 17, 18, 20, 22, 23, 26, 28, 33, 34, 36, 39, 40, 41, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 64, 65, 70, 72, 76, 82, 87, 91, 92, 96, 97, 101, 104, 105, 107, 110, 111, 112, 113, 114, 115, 122, 132, 158, 160, 161, 162, 165, 166, 167, 168, 169, 170, 172, 178, 181, 182, 183, 192, 193, 197, 200, 202, 203, 204, 205, 207, 208, 211, 212, 215, 217, 218, 219, 220, 221, 222, 223, 225, 227, 228, 229, 230, 233, 235, 236, 237, 238, 239, 243, 244, 246, 248, 249, 251, 252, 253, 254, 255, 257, 258, 259, 260], "differ": [3, 5, 23, 29, 43, 44, 86, 100, 177, 179, 181, 200, 201, 205, 216, 218, 223, 232, 238, 249, 255, 256, 257], "modul": [3, 171, 176, 216, 238, 240], "qtcore": 3, "vector": [3, 8, 19, 21, 22, 23, 25, 27, 28, 29, 34, 35, 36, 38, 40, 42, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 82, 85, 96, 107, 108, 110, 111, 112, 113, 114, 115, 118, 119, 121, 125, 135, 143, 183, 184, 235], "stl": [3, 8], "do": [3, 6, 13, 18, 85, 96, 123, 126, 131, 135, 145, 146, 172, 173, 179, 184, 191, 201, 203, 216, 223, 240, 243, 248, 249, 252], "avogadrorenderingexport": 3, "ar": [3, 4, 5, 6, 7, 14, 15, 16, 19, 22, 24, 25, 26, 27, 29, 38, 40, 42, 49, 50, 52, 62, 63, 64, 65, 66, 67, 68, 69, 76, 79, 80, 81, 82, 83, 85, 93, 96, 104, 105, 116, 118, 121, 122, 125, 129, 135, 137, 141, 143, 162, 168, 169, 170, 173, 174, 175, 176, 177, 179, 182, 186, 188, 201, 203, 213, 214, 216, 219, 220, 222, 223, 226, 229, 231, 238, 239, 240, 241, 243, 244, 246, 247, 248, 252, 255, 260], "denot": [3, 122, 130], "_p": 3, "camel": [3, 6], "case": [3, 6, 16, 25, 38, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 66, 68, 69, 73, 74, 83, 85, 107, 110, 111, 112, 113, 114, 115, 167, 170, 172, 174, 179, 198, 201, 212, 222, 223, 246, 247, 248, 258], "qtgui": [3, 29, 63, 64, 65, 104, 105, 158, 160, 162], "instead": [3, 40, 76, 168, 169, 170, 229, 247], "being": [3, 6, 16, 25, 28, 49, 85, 91, 92, 105, 121, 125, 158, 159, 199, 220, 222, 227, 240, 257], "wrong": [3, 6, 244], "qdialog": [3, 64, 66, 72], "correct": [3, 6, 50, 63, 83, 124, 127, 174, 191, 240, 248, 255], "open": [3, 4, 5, 6, 49, 52, 66, 69, 76, 79, 160, 162, 163, 164, 167, 170, 182, 183, 185, 186, 187, 188, 194, 199, 205, 206, 209, 211, 213, 231, 234, 235, 238, 239, 240, 243, 245, 246, 247, 248, 249], "chemistri": [3, 4, 5, 6, 206, 232, 234, 235, 239, 240, 243], "nest": [3, 191], "everyth": [3, 208, 212, 219], "insid": [3, 6, 176, 240], "mongochem": [3, 248], "contain": [3, 6, 8, 9, 13, 16, 18, 19, 21, 22, 23, 25, 27, 28, 29, 34, 38, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 66, 68, 69, 71, 76, 79, 83, 87, 88, 91, 92, 93, 96, 99, 105, 107, 110, 111, 112, 113, 114, 115, 116, 118, 121, 125, 127, 131, 133, 135, 137, 143, 145, 147, 159, 160, 161, 168, 169, 170, 172, 173, 174, 176, 214, 216, 240, 247], "most": [3, 16, 62, 63, 73, 74, 76, 79, 83, 126, 127, 165, 169, 174, 179, 203, 206, 207, 209, 213, 218, 220, 232, 233, 238, 240], "overspecifi": 3, "e": [3, 6, 20, 27, 28, 29, 34, 38, 44, 49, 63, 65, 75, 76, 83, 85, 86, 89, 90, 93, 96, 101, 133, 135, 139, 143, 167, 168, 169, 170, 173, 174, 176, 177, 179, 182, 186, 191, 193, 194, 201, 205, 214, 223, 229, 231, 235, 236, 237, 238, 240, 243, 244, 247, 248], "doesn": [3, 194, 198, 220], "slot": [3, 62, 63, 64, 66, 67, 69, 70, 72, 76, 78, 83, 86, 87, 88, 89, 90, 93, 96, 99, 101, 104, 105, 158], "moc": 3, "often": [3, 184, 218], "littl": 3, "help": [3, 4, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 107, 110, 111, 112, 113, 114, 115, 162, 168, 170, 173, 206, 207, 218, 233, 237, 238, 239, 244, 246, 247, 257], "onli": [3, 6, 16, 22, 24, 29, 44, 52, 63, 66, 69, 82, 83, 86, 96, 105, 118, 122, 125, 134, 168, 169, 170, 172, 173, 174, 179, 191, 198, 199, 203, 209, 212, 216, 218, 220, 222, 232, 238, 240, 245, 246, 247, 248, 257, 260], "specif": [3, 12, 17, 20, 29, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 83, 107, 110, 111, 112, 113, 114, 115, 160, 161, 172, 173, 174, 183, 198, 209, 212, 215, 218, 219, 220, 221, 224, 233, 243, 248], "symbol": [3, 20, 24, 40, 41, 73, 74, 160, 161, 174, 201, 223, 246, 248], "avoid": [3, 6, 23, 85, 179, 240, 247, 248, 258], "static_cast": 3, "dynamic_cast": [3, 130], "const_cast": 3, "reinterpret_cast": [3, 6], "For": [3, 5, 6, 16, 20, 24, 52, 62, 96, 135, 162, 168, 170, 171, 172, 173, 174, 177, 179, 183, 189, 192, 199, 206, 208, 209, 212, 213, 215, 216, 220, 222, 225, 226, 229, 240, 252, 257, 259], "deriv": [3, 16, 21, 22, 26, 39, 49, 86, 101, 105, 127, 159, 179, 232, 252, 253, 257], "qobject_cast": 3, "enum": [3, 16, 20, 22, 23, 25, 34, 38, 40, 43, 49, 52, 62, 66, 68, 78, 79, 82, 86, 96, 97, 108, 118, 127, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156], "": [3, 13, 14, 18, 20, 22, 25, 27, 29, 38, 42, 43, 44, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 66, 76, 80, 81, 82, 83, 85, 86, 96, 105, 107, 108, 110, 111, 112, 113, 114, 115, 119, 122, 130, 143, 158, 160, 161, 163, 167, 169, 170, 171, 173, 174, 179, 181, 184, 191, 201, 207, 209, 213, 215, 216, 219, 220, 221, 222, 223, 227, 232, 233, 238, 240, 243, 248, 250, 257], "constant": [3, 24, 85, 209], "static": [3, 15, 22, 24, 29, 40, 42, 49, 50, 62, 66, 67, 69, 72, 75, 78, 79, 82, 85, 100, 104, 117, 128, 129, 148, 149, 150, 151, 152, 153, 154, 155, 156, 159, 218], "int": [3, 6, 13, 16, 18, 19, 22, 23, 25, 26, 28, 29, 34, 35, 38, 39, 42, 43, 45, 49, 52, 62, 63, 66, 68, 69, 73, 74, 75, 76, 80, 82, 83, 85, 86, 87, 89, 90, 93, 96, 99, 105, 106, 108, 119, 124, 128, 129, 135, 141, 142, 143, 159, 160, 161, 172], "verbos": 3, "argument": [3, 29, 44, 63, 66, 83, 86, 168, 169, 170, 172, 173, 174, 240], "id": [3, 27, 28, 29, 34, 50, 62, 66, 69, 86, 91, 92, 96, 116, 120, 132, 136, 137, 167, 240, 244], "show": [3, 29, 66, 79, 90, 182, 186, 188, 191, 192, 203, 209, 222, 231, 232, 238, 247], "autocomplet": 3, "It": [3, 15, 16, 19, 22, 25, 28, 29, 38, 44, 50, 63, 82, 83, 86, 96, 122, 169, 171, 172, 174, 195, 203, 206, 210, 216, 236, 238, 239, 240], "look": [3, 6, 50, 119, 171, 172, 176, 184, 203, 213, 238, 240], "better": [3, 5, 206, 214, 220, 238, 239, 248], "poor": 3, "peopl": [3, 206], "guess": [3, 24], "abbrevi": [3, 6], "ambigu": 3, "can": [3, 8, 14, 21, 22, 24, 26, 28, 29, 39, 49, 50, 52, 62, 63, 65, 66, 67, 68, 69, 76, 79, 82, 83, 85, 86, 91, 92, 96, 101, 104, 116, 122, 131, 133, 134, 135, 137, 145, 158, 159, 162, 167, 168, 169, 170, 171, 173, 174, 175, 176, 177, 179, 183, 184, 186, 187, 188, 189, 190, 191, 192, 194, 195, 197, 198, 199, 201, 203, 204, 206, 207, 208, 209, 212, 213, 215, 216, 218, 219, 220, 221, 222, 223, 227, 228, 229, 232, 233, 234, 238, 239, 240, 241, 243, 244, 246, 247], "afford": 3, "few": [3, 176, 191, 195, 236, 238, 248], "extra": [3, 63, 83, 169, 174, 183], "byte": [3, 52, 106, 142], "like": [4, 16, 25, 38, 62, 66, 79, 163, 167, 170, 171, 172, 173, 191, 213, 214, 237, 238, 239, 240, 244, 245, 246, 247, 248, 257], "mani": [4, 25, 38, 162, 168, 206, 209, 222, 225, 229, 236, 237, 238, 243, 244, 245, 246, 247, 248], "fundament": 4, "commun": [4, 5, 67, 167, 179, 257], "aim": [4, 232], "develop": [4, 5, 206, 232, 236, 237, 238, 239, 243, 244, 246, 247, 251], "alik": [4, 180], "hope": 4, "build": [4, 22, 30, 31, 96, 99, 157, 169, 171, 181, 182, 197, 211, 218, 229, 231, 236, 238, 239, 241, 243, 244, 246, 247, 248, 249, 250, 252, 258, 259], "top": [4, 76, 106, 119, 121, 124, 139, 142, 199, 225, 240, 246], "framework": [4, 238, 247, 248], "so": [4, 19, 22, 25, 38, 42, 52, 63, 83, 85, 96, 135, 143, 158, 159, 162, 167, 172, 174, 176, 179, 184, 191, 197, 198, 199, 209, 220, 237, 240, 256, 258, 260], "veri": [4, 5, 23, 32, 37, 162, 184, 203, 244, 246, 247], "grate": 4, "start": [4, 5, 6, 25, 27, 93, 117, 121, 181, 182, 183, 190, 191, 207, 217, 220, 221, 224, 230, 235, 239, 244, 248], "donald": 4, "curti": 4, "effort": [4, 82, 206], "kitwar": [4, 240], "inc": 4, "shahzad": 4, "ali": 4, "kristof": 4, "bal": 4, "banck": 4, "edward": 4, "bett": 4, "ross": 4, "braithwait": 4, "jame": 4, "bunt": 4, "taylor": [4, 206], "cornel": [4, 206], "raphael": 4, "kubo": 4, "costa": 4, "reini": 4, "dann": 4, "zackari": 4, "fall": [4, 6, 243, 244, 246], "naomi": 4, "fox": 4, "raimonda": 4, "galv": 4, "dagmar": 4, "lenk": 4, "gari": 4, "kedziora": 4, "thoma": [4, 243], "margraf": 4, "jordan": 4, "mantha": 4, "carsten": 4, "niehau": 4, "katsuhiko": 4, "nishimra": 4, "simon": 4, "ochsenreith": 4, "schwab": 4, "sergei": 4, "smirnov": 4, "casper": 4, "steinmann": 4, "jen": 4, "jonathan": 4, "tinkham": 4, "toneian": 4, "jure": 4, "varlec": 4, "egon": 4, "willighagen": 4, "support": [4, 5, 13, 25, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 75, 79, 83, 96, 103, 107, 110, 111, 112, 113, 114, 115, 116, 118, 124, 135, 143, 162, 167, 168, 169, 170, 171, 173, 174, 176, 203, 205, 231, 232, 238, 239, 240, 243, 244, 246, 247, 248], "its": [4, 9, 15, 27, 40, 50, 52, 73, 74, 82, 96, 127, 162, 171, 172, 179, 198, 207, 227, 256, 257, 258, 260], "ha": [4, 5, 14, 15, 16, 22, 25, 27, 29, 38, 42, 52, 65, 67, 69, 76, 86, 96, 97, 101, 124, 133, 135, 172, 179, 186, 188, 189, 192, 194, 198, 199, 201, 203, 207, 209, 210, 218, 220, 222, 223, 233, 235, 238, 240, 243, 248, 258], "come": [4, 194, 199, 216, 218, 222, 239], "would": [4, 76, 127, 135, 191, 203, 205, 206, 236, 238, 239, 240, 257], "particularli": [4, 218, 236, 244, 246, 247], "googl": [4, 244, 246, 247], "summer": [4, 206, 243, 244, 246, 247], "code": [4, 5, 7, 25, 38, 63, 83, 85, 89, 162, 168, 170, 171, 172, 174, 184, 191, 192, 194, 209, 234, 235, 238, 239, 241, 243, 244, 246, 247, 248], "2007": 4, "2008": 4, "2011": 4, "2016": 4, "2018": 4, "2019": [4, 246], "2021": [4, 243, 244, 245], "2022": [4, 206, 246, 247], "univers": [4, 206, 218, 220, 251], "pittsburgh": [4, 206], "u": [4, 5, 8, 9, 21, 105, 127, 186, 191, 239, 243, 244, 246, 247], "depart": [4, 206], "defens": 4, "dod": 4, "through": [4, 5, 6, 7, 14, 65, 69, 76, 96, 101, 162, 165, 170, 172, 175, 176, 179, 182, 183, 187, 188, 189, 192, 193, 198, 199, 201, 203, 209, 210, 212, 216, 220, 223, 229, 232, 238, 240, 243, 248], "pettt": 4, "program": [4, 66, 67, 68, 69, 135, 160, 164, 167, 168, 169, 174, 183, 189, 210, 216, 236, 237, 246], "research": [4, 191, 239, 251, 257], "corpor": [4, 179], "cottrel": 4, "scholar": 4, "award": 4, "backer": 4, "collect": [4, 22, 62, 63, 65, 66, 83, 105, 116, 121, 122, 125, 133, 137, 162, 172, 174, 179], "igor": 4, "filippov": 4, "qinghui": 4, "ge": 4, "colton": 4, "hick": 4, "serkan": 4, "holat": 4, "sponsor": [4, 179], "harshavardhan": 4, "kamarthi": 4, "triplebyt": 4, "reli": 4, "number": [4, 6, 13, 15, 16, 18, 20, 22, 23, 24, 25, 26, 27, 28, 29, 34, 38, 39, 40, 52, 62, 63, 64, 73, 74, 75, 80, 82, 83, 85, 86, 96, 116, 121, 127, 129, 135, 137, 143, 167, 168, 170, 172, 174, 176, 177, 186, 192, 199, 201, 203, 207, 209, 214, 215, 220, 223, 229, 240, 255], "infrastructur": 4, "blue": [4, 19, 24, 141, 143, 160, 161, 166, 198, 199, 219, 222, 233, 238], "obelisk": [4, 24], "group": [4, 6, 8, 13, 18, 20, 29, 40, 42, 62, 63, 64, 65, 66, 67, 69, 70, 79, 83, 86, 93, 96, 101, 105, 106, 117, 122, 123, 124, 127, 128, 129, 135, 137, 138, 139, 140, 141, 143, 158, 174, 184, 186, 187, 188, 189, 191, 201, 205, 207, 212, 223, 224, 232, 238, 246, 248, 251, 253, 255], "pybind11": 4, "chemic": [4, 24, 29, 34, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 83, 107, 110, 111, 112, 113, 114, 115, 162, 173, 174, 195, 203, 205, 208, 210, 212, 216, 231, 238], "structur": [4, 22, 23, 24, 25, 27, 29, 38, 76, 171, 172, 184, 190, 191, 195, 197, 199, 201, 208, 213, 218, 220, 223, 238, 243, 244, 246, 255], "databas": [4, 5, 24, 175, 190, 197, 210, 231], "cmake": [4, 240, 248], "eigen": [4, 6, 29, 38, 108, 119, 135, 240], "softwar": [4, 209, 232], "babel": [4, 163, 170, 203, 205, 238, 243, 246, 247], "And": [4, 168], "cours": [4, 190, 251], "johann": 4, "loschmidt": 4, "amedeo": 4, "made": [5, 7, 8, 24, 27, 82, 101, 179, 180, 197, 198, 199, 203, 204, 210, 212, 213, 218, 228, 243], "who": 5, "want": [5, 8, 169, 186, 190, 191, 198, 201, 203, 214, 215, 223, 225, 232, 233, 239], "back": [5, 8, 84, 160, 161, 207, 213, 243, 244, 246], "great": [5, 239, 240], "place": [5, 6, 40, 50, 73, 74, 172, 174, 179, 184, 199, 208, 209, 213, 220, 225, 227, 239, 240, 253], "fellow": 5, "forum": [5, 7], "question": [5, 239], "level": [5, 63, 76, 83, 174, 240, 251], "post": [5, 215], "mai": [5, 19, 29, 40, 52, 63, 65, 68, 76, 83, 96, 97, 101, 105, 106, 118, 127, 135, 168, 169, 172, 174, 176, 177, 179, 182, 184, 186, 190, 191, 192, 195, 206, 214, 216, 220, 229, 231, 232, 234, 236, 237, 240, 252, 257, 260], "find": [5, 15, 23, 30, 31, 42, 52, 79, 85, 96, 100, 157, 171, 172, 181, 203, 216, 217, 234, 238, 239, 247, 254, 257], "experi": [5, 251], "valuabl": 5, "bug": [5, 7, 194, 239, 242], "pleas": [5, 7, 239, 243, 244, 246, 247, 257], "take": [5, 23, 29, 50, 63, 70, 73, 74, 76, 83, 88, 105, 123, 124, 138, 172, 182, 195, 199, 209, 213, 216, 220, 225, 227, 234], "moment": [5, 191, 234], "tracker": [5, 239], "issu": [5, 7, 239, 243, 248], "while": [5, 6, 27, 63, 83, 85, 96, 101, 169, 170, 174, 183, 188, 215, 220, 229, 231, 247], "move": [5, 29, 105, 139, 143, 179, 186, 194, 197, 203, 220, 225, 237, 238, 248, 249], "around": [5, 6, 16, 23, 32, 37, 64, 66, 70, 186, 188, 191, 197, 199, 203, 215, 225, 238, 252, 257], "fit": [5, 6, 29, 52, 105, 124, 158, 179, 229], "particular": [5, 24, 52, 63, 76, 83, 167, 168, 170, 174, 179, 190, 205, 206, 229], "compon": [5, 19, 23, 24, 27, 29, 128, 129, 133, 141, 143, 162], "itself": 5, "section": [5, 22, 63, 68, 83, 96, 174, 176, 199, 204, 206, 207, 209, 215, 220, 225, 238, 257], "discuss": [5, 7, 169, 209, 239, 243, 244, 246, 247, 257], "idea": [5, 239, 257], "plan": 5, "direct": [5, 19, 42, 63, 83, 116, 119, 120, 121, 122, 125, 129, 137, 143, 160, 166, 174, 179, 194, 221, 240, 246, 249], "progress": [5, 28, 85, 210, 237], "etc": [5, 6, 18, 25, 29, 38, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 83, 101, 104, 105, 107, 110, 111, 112, 113, 114, 115, 116, 121, 134, 135, 137, 143, 158, 162, 169, 170, 171, 174, 177, 199, 203, 205, 209, 229, 231, 232, 235, 237, 238, 239, 240, 243, 248, 252], "both": [5, 16, 27, 52, 64, 65, 162, 168, 170, 173, 174, 176, 177, 188, 216, 239, 260], "python": [5, 93, 100, 162, 169, 172, 175, 176, 217, 237, 239, 240, 242, 244, 246, 247, 248], "script": [5, 64, 65, 76, 84, 93, 100, 101, 163, 173, 216, 237, 239, 243, 244, 245, 247, 248], "util": [5, 65, 93, 100, 119, 176, 189, 199, 209], "tell": [5, 101, 167], "friend": [5, 28, 42, 68, 80, 96, 116, 117, 121, 122, 128, 129, 130, 137, 140], "cite": 5, "paper": [5, 22, 193, 239, 249], "write": [5, 6, 8, 16, 37, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 79, 83, 93, 104, 107, 110, 111, 112, 113, 114, 115, 160, 163, 165, 170, 171, 174, 205, 246, 247, 248], "edit": [5, 15, 65, 96, 162, 181, 189, 198, 199, 201, 203, 209, 211, 212, 213, 223, 225, 235, 236, 238, 240, 246, 247, 248], "tutori": [5, 181, 182, 199, 209, 238, 239, 251], "site": [5, 229, 238, 239], "up": [5, 25, 27, 28, 38, 50, 52, 85, 99, 105, 119, 143, 158, 162, 167, 171, 182, 186, 189, 190, 191, 194, 195, 197, 198, 203, 209, 210, 212, 213, 214, 226, 229, 231, 233, 236, 238, 247, 248], "lesson": [5, 186, 251, 257], "activ": [5, 25, 71, 76, 87, 88, 89, 90, 97, 101, 104, 105, 216, 238, 240, 251], "teacher": [5, 251], "send": [5, 62, 67, 93, 162, 167, 174, 243], "fragment": [5, 134, 135, 160, 166, 181, 193, 196, 204, 207, 225, 228, 229, 238, 243, 248], "report": [5, 7, 63, 83, 174, 184, 239, 244, 245, 246, 247], "encount": [5, 7, 49, 52, 105], "about": [5, 20, 24, 40, 63, 83, 119, 174, 198, 209, 213, 215, 227, 239, 246, 247], "improv": [5, 7, 236, 238, 242, 245], "translat": [5, 23, 42, 68, 75, 119, 160, 163, 166, 168, 170, 173, 177, 179, 183, 184, 186, 190, 191, 203, 206, 219, 225, 239, 242, 243], "languag": [5, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 83, 107, 110, 111, 112, 113, 114, 115, 168, 169, 170, 171, 174, 205, 212, 239, 247], "donat": 5, "pai": [5, 206, 260], "host": [5, 246, 247, 248], "meet": 5, "bounti": 5, "when": [6, 8, 9, 14, 16, 19, 21, 25, 29, 38, 50, 52, 62, 63, 64, 65, 66, 67, 69, 70, 76, 79, 83, 89, 90, 93, 96, 101, 105, 124, 128, 129, 158, 169, 170, 171, 172, 174, 176, 188, 189, 198, 199, 203, 204, 205, 207, 209, 213, 214, 216, 225, 234, 237, 240, 244, 247, 248, 249, 251, 252], "base": [6, 8, 9, 14, 16, 20, 29, 34, 49, 63, 76, 77, 79, 80, 83, 86, 98, 101, 102, 117, 121, 122, 123, 125, 126, 130, 131, 145, 146, 162, 170, 172, 174, 176, 177, 179, 191, 192, 207, 209, 212, 238, 247, 248, 252, 257], "larg": [6, 8, 52, 182, 186, 187, 190, 191, 203, 238, 240], "kde": 6, "format": [6, 20, 34, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 76, 79, 80, 81, 83, 107, 110, 111, 112, 113, 114, 115, 141, 143, 162, 163, 167, 168, 170, 171, 172, 174, 175, 176, 179, 180, 194, 209, 232, 234, 237, 238, 243, 244, 245, 246, 247, 248], "enforc": [6, 179], "clang": [6, 247], "tool": [6, 26, 39, 76, 101, 102, 105, 160, 165, 181, 183, 186, 190, 191, 197, 199, 201, 203, 204, 206, 215, 236, 237, 239, 243, 245, 246, 248, 252, 256, 259, 260], "space": [6, 20, 22, 23, 26, 28, 29, 39, 40, 52, 96, 147, 160, 161, 170, 174, 182, 184, 186, 187, 188, 189, 205, 213, 246, 248, 255], "tab": [6, 213, 229, 244, 247], "keep": [6, 27, 52, 66, 68, 96, 104, 106, 215, 240], "less": [6, 13, 18, 24, 29, 96, 209, 229, 233, 238, 258], "than": [6, 8, 13, 18, 24, 27, 29, 52, 63, 83, 96, 167, 179, 187, 238, 244, 255, 258], "80": 6, "charact": [6, 20, 49, 63, 83, 169, 174], "wide": [6, 206, 209, 238], "each": [6, 14, 20, 25, 27, 28, 33, 38, 41, 49, 52, 62, 63, 64, 83, 96, 135, 143, 162, 170, 171, 174, 176, 177, 214, 240, 259, 260], "separ": [6, 143, 169, 174, 179, 205, 232], "g": [6, 20, 25, 29, 34, 49, 63, 75, 76, 83, 89, 90, 93, 101, 135, 139, 141, 143, 160, 161, 167, 168, 169, 170, 173, 174, 176, 177, 179, 182, 191, 193, 194, 201, 205, 214, 223, 229, 231, 235, 237, 238, 240, 243, 248], "nmbr": 6, "singl": [6, 18, 29, 52, 63, 65, 67, 71, 83, 85, 96, 117, 143, 174, 191, 192, 198, 204, 228, 247, 251], "fine": [6, 63, 83, 174], "counter": [6, 63, 83, 93], "temporari": [6, 170], "obviou": 6, "wait": [6, 65, 68, 93], "until": [6, 8, 65, 66, 207, 220, 255], "unus": [6, 16, 25, 38], "ones": 6, "incorrect": [6, 244, 247, 248], "f": [6, 25, 38, 71, 88, 108, 122, 135, 137, 139, 158, 160, 161, 170, 179, 218, 244], "lower": [6, 27, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 107, 110, 111, 112, 113, 114, 115, 143, 213], "letter": [6, 24, 192, 246], "word": 6, "acronym": 6, "cmlformat": [6, 49, 160, 163], "doubl": [6, 15, 18, 24, 25, 26, 29, 38, 39, 40, 43, 52, 90, 96, 108, 117, 158, 159, 160, 161, 191, 192, 201, 204, 223, 227, 228, 247, 258], "cntr": 6, "std": [6, 8, 9, 10, 11, 13, 16, 20, 21, 23, 24, 25, 27, 28, 29, 33, 34, 35, 36, 38, 40, 41, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 82, 86, 96, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 121, 122, 124, 125, 127, 131, 134, 135, 137, 140, 142, 143, 145], "string": [6, 7, 13, 16, 20, 23, 24, 25, 28, 29, 33, 34, 35, 40, 41, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 66, 68, 69, 70, 76, 79, 80, 81, 83, 96, 101, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 118, 124, 131, 134, 135, 140, 142, 143, 145, 160, 161, 163, 167, 169, 172, 174, 193], "rawxml": 6, "char": [6, 13, 18, 24, 25, 29, 34, 40, 43, 86, 96, 101, 106, 128, 129, 135, 140, 141, 142, 143, 148, 150, 151, 152, 153, 155, 156, 160, 161], "list_delimit": 6, "center": [6, 29, 116, 119, 126, 133, 137, 160, 166, 186, 190, 191, 192, 198, 199, 211, 229, 238, 244, 248], "listdelimit": 6, "upper": [6, 138], "m_": 6, "blank": [6, 177, 213], "togeth": [6, 96, 127, 176], "after": [6, 29, 49, 52, 63, 64, 66, 69, 83, 90, 118, 169, 170, 177, 182, 186, 187, 188, 189, 191, 195, 197, 198, 201, 207, 209, 210, 215, 223, 225, 229, 233, 235, 243], "curli": 6, "blah": [6, 63, 83, 177], "explod": 6, "5": [6, 15, 40, 42, 63, 83, 96, 160, 161, 177, 186, 240, 247, 248, 249, 252, 259, 260], "pointer": [6, 8, 24, 28, 43, 45, 66, 79, 122, 125, 127, 130, 160, 161], "refer": [6, 8, 13, 18, 43, 45, 64, 66, 67, 68, 79, 80, 86, 91, 92, 104, 105, 116, 118, 119, 121, 125, 127, 135, 137, 143, 158, 160, 161, 171, 179, 215, 219, 220, 245], "between": [6, 15, 23, 24, 27, 29, 42, 43, 44, 85, 86, 96, 167, 172, 173, 182, 183, 199, 209, 215, 220, 226, 229, 248, 255, 257, 260], "x": [6, 20, 22, 23, 28, 29, 124, 170, 173, 174, 183, 199, 207, 209, 213, 219, 221, 238, 240, 248, 258], "mystr": 6, "y": [6, 20, 23, 29, 119, 124, 170, 174, 199, 207, 209, 213, 219, 221, 240], "whoah": 6, "surround": [6, 233], "binari": [6, 240, 247], "oper": [6, 8, 13, 14, 18, 21, 22, 28, 29, 34, 35, 42, 43, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 70, 72, 79, 80, 85, 86, 96, 107, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 121, 122, 128, 129, 132, 135, 137, 140, 141, 143, 160, 161, 163, 165, 166, 169, 171, 173, 183], "No": [6, 22, 27, 168, 179, 247], "memoryblock": 6, "malloc": 6, "data": [6, 8, 9, 16, 19, 21, 23, 24, 25, 26, 27, 28, 29, 34, 38, 39, 40, 43, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 68, 76, 83, 85, 86, 87, 93, 96, 99, 106, 107, 108, 110, 111, 112, 113, 114, 115, 118, 133, 135, 142, 143, 147, 158, 160, 161, 164, 165, 167, 168, 172, 173, 181, 196, 208, 211, 212, 232, 237, 238, 243, 255, 256, 258], "size": [6, 8, 19, 21, 27, 28, 44, 52, 85, 116, 118, 121, 135, 137, 143, 160, 161, 166, 182, 183, 199, 213, 243, 248, 255], "left": [6, 52, 63, 83, 106, 119, 138, 142, 143, 174, 201, 203, 204, 207, 213, 219, 220, 222, 223, 228, 240], "normal": [6, 8, 25, 28, 29, 38, 63, 76, 83, 85, 90, 116, 120, 121, 122, 125, 129, 135, 137, 160, 161, 165, 166, 174, 188, 203], "same": [6, 13, 18, 22, 27, 52, 62, 64, 128, 129, 168, 179, 198, 213, 218, 240, 249, 260], "foo": 6, "run": [6, 14, 28, 62, 65, 68, 69, 83, 84, 85, 104, 160, 161, 165, 168, 169, 170, 171, 173, 176, 203, 211, 216, 235, 238, 245, 247, 254], "implement": [6, 12, 14, 17, 22, 33, 41, 46, 47, 48, 52, 54, 55, 56, 59, 60, 61, 63, 76, 83, 85, 90, 93, 96, 106, 114, 118, 123, 135, 140, 142, 143, 162, 167, 173, 246, 247], "myfun": 6, "cout": 6, "suppli": [6, 23, 24, 25, 29, 38, 49, 50, 63, 64, 76, 79, 83, 85, 96, 97, 108, 119, 122, 125, 134, 135, 137, 158, 168, 169, 170, 179], "endl": 6, "bar": [6, 209, 213, 225, 227, 234], "bodi": 6, "condit": [6, 22, 191], "also": [6, 27, 28, 40, 49, 63, 73, 74, 83, 96, 105, 116, 133, 137, 162, 168, 170, 172, 174, 175, 176, 179, 182, 186, 188, 190, 191, 192, 194, 201, 203, 204, 206, 207, 208, 209, 210, 212, 213, 216, 218, 220, 221, 223, 226, 227, 228, 232, 238, 239, 240, 247, 257], "complex": [6, 127, 201, 223, 229, 238, 248], "42": 6, "var": [6, 171], "parent": [6, 45, 62, 66, 68, 70, 71, 72, 76, 79, 82, 85, 87, 88, 89, 96, 97, 99, 101, 102, 105, 122, 127, 130, 144, 160, 161, 164, 165, 166], "doe": [6, 8, 13, 15, 22, 29, 40, 52, 86, 93, 96, 105, 119, 135, 159, 168, 169, 170, 179, 187, 209, 218, 225, 237, 255], "wrap": [6, 42, 96, 143, 159, 160, 166], "isvalid": [6, 13, 16, 18, 25, 26, 38, 39, 63, 83, 86, 91, 92, 105, 124, 132, 160, 161, 164, 165, 166], "agooddai": 6, "ani": [6, 8, 13, 14, 18, 23, 27, 29, 43, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 69, 76, 79, 80, 81, 83, 93, 96, 101, 105, 107, 110, 111, 112, 113, 114, 115, 118, 119, 125, 135, 167, 168, 169, 170, 172, 173, 174, 176, 177, 179, 195, 203, 207, 210, 213, 222, 229, 236, 240, 248], "els": 6, "block": [6, 20, 63, 83, 169, 177], "element": [6, 8, 20, 21, 25, 27, 28, 29, 33, 41, 72, 73, 74, 75, 89, 90, 96, 123, 129, 131, 133, 135, 143, 145, 160, 161, 165, 168, 170, 171, 172, 174, 177, 179, 182, 189, 201, 207, 211, 218, 223, 229, 238, 244, 247, 252], "cover": [6, 169, 206, 231], "empti": [6, 8, 20, 25, 27, 29, 34, 40, 43, 44, 49, 50, 52, 76, 78, 79, 80, 96, 118, 124, 134, 135, 160, 161, 169, 188, 243], "express": [6, 63, 83, 174, 179, 258], "intent": 6, "clearer": 6, "label": [6, 13, 20, 29, 63, 83, 96, 108, 139, 160, 161, 169, 171, 174, 177, 179, 200, 215, 238, 243, 244, 246, 248], "column": [6, 22, 42, 68, 87, 99], "everi": [6, 27, 29, 179, 231], "must": [6, 16, 25, 26, 29, 38, 52, 63, 66, 76, 79, 83, 85, 96, 106, 118, 120, 128, 129, 134, 135, 142, 143, 168, 169, 170, 172, 173, 174, 176, 179, 207, 216, 240], "indic": [6, 20, 23, 27, 28, 29, 63, 64, 66, 68, 69, 76, 79, 82, 83, 86, 96, 104, 105, 116, 129, 135, 137, 168, 169, 170, 172, 173, 174, 176, 177, 179, 182, 186, 213, 215, 222, 229, 245], "omiss": 6, "anoth": [6, 40, 52, 170, 184, 189, 199, 201, 204, 223, 228, 238, 260], "immedi": [6, 176], "myenum": 6, "drawlin": [6, 117, 160, 166], "vertex": [6, 27, 28, 85, 117, 128, 129, 134, 135, 160, 161, 166, 226], "drawdot": 6, "default": [6, 16, 20, 24, 25, 26, 28, 29, 34, 38, 49, 52, 63, 65, 76, 79, 83, 96, 97, 105, 119, 128, 129, 133, 134, 139, 143, 169, 171, 174, 177, 192, 199, 201, 203, 205, 213, 214, 220, 223, 234, 238, 248], "drawdefault": 6, "shorter": 6, "insert": [6, 8, 29, 63, 83, 160, 161, 169, 177, 181, 182, 186, 190, 191, 192, 193, 196, 211, 224, 225, 238, 243, 244, 246, 248, 249], "comma": [6, 168, 170], "broken": 6, "begin": [6, 8, 44, 85, 96, 106, 131, 142, 145, 160, 161, 166, 201, 204, 222, 223, 233, 235], "verylongexpress": 6, "anotherevenlongerexpress": 6, "justwhenyouthoughtitcouldntgetlong": 6, "vector3d": [6, 108], "posit": [6, 8, 13, 15, 22, 23, 26, 29, 39, 82, 85, 96, 116, 119, 120, 126, 133, 135, 136, 137, 139, 160, 161, 166, 186, 190, 191, 207, 213, 225, 238, 253, 258, 260], "currentposit": 6, "offset": [6, 85, 135, 160, 165], "reimplement": [6, 65, 105], "put": [6, 238, 248], "discourag": 6, "prefix": [6, 13, 18, 63, 79, 83, 173, 176, 177, 240], "clear": [6, 8, 14, 27, 28, 29, 43, 44, 49, 63, 83, 85, 87, 90, 99, 105, 116, 117, 121, 122, 126, 127, 128, 129, 133, 137, 140, 158, 160, 161, 163, 165, 166, 183, 204, 211, 228, 243], "cpp": [6, 85], "extens": [6, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 77, 79, 83, 107, 110, 111, 112, 113, 114, 115, 162, 167, 168, 169, 170, 173, 174, 181, 183, 199, 201, 211, 212, 215, 216, 220, 223, 232, 233, 238, 239, 243, 246, 247, 248], "As": [6, 7, 167, 169, 190, 199, 211, 219, 226, 229, 231, 240, 243, 246], "feel": [6, 239], "free": [6, 52, 105, 169, 174, 179, 201, 206, 223, 239, 240], "bad": 6, "local": [7, 63, 75, 83, 85, 169, 174, 176, 177, 239, 243, 246, 248], "avail": [7, 26, 29, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 67, 68, 69, 76, 83, 85, 101, 105, 107, 110, 111, 112, 113, 114, 115, 134, 159, 168, 169, 170, 171, 173, 174, 177, 179, 180, 238, 239, 247], "autom": [7, 50, 176, 238, 246, 247], "task": [7, 218, 238], "phrase": 7, "whenev": 7, "allow": [7, 8, 28, 32, 37, 43, 63, 79, 83, 162, 163, 168, 170, 173, 174, 179, 182, 183, 186, 188, 189, 190, 191, 193, 194, 199, 201, 203, 204, 207, 209, 210, 212, 213, 215, 220, 221, 222, 223, 225, 226, 227, 228, 229, 232, 234, 235, 237, 238, 243, 247, 248], "time": [7, 52, 63, 83, 93, 96, 105, 118, 127, 162, 179, 182, 187, 191, 248, 251], "freez": [7, 29], "least": [7, 76, 96, 214, 226, 233, 238, 247], "week": 7, "advanc": [7, 63, 83, 174, 239, 240], "releas": [7, 52, 118, 135, 143, 160, 166, 176, 206, 236, 240, 241, 242], "typenam": [8, 9, 10, 14, 21, 43, 45, 91, 92, 130, 148], "copi": [8, 13, 18, 23, 28, 29, 43, 50, 79, 86, 106, 142, 186, 193, 211, 216, 229, 243, 246, 248], "semant": 8, "effect": [8, 119, 179, 216, 249, 255], "share": [8, 13, 18, 27, 37, 176, 179, 180, 238, 240], "without": [8, 27, 50, 52, 66, 69, 162, 179, 203, 206, 209, 210, 236, 240, 244], "expos": 8, "access": [8, 19, 52, 65, 67, 68, 84, 104, 118, 135, 143, 170, 179, 194, 199, 210, 247, 251], "amount": [8, 186, 209], "non": [8, 9, 24, 29, 63, 83, 96, 127, 170, 172, 174, 179, 243, 244, 247, 248], "trigger": [8, 105, 172], "detach": [8, 135, 160, 161, 211, 246], "op": 8, "count": [8, 13, 29], "1": [8, 13, 16, 18, 19, 20, 22, 23, 25, 27, 29, 52, 63, 66, 69, 83, 86, 96, 106, 119, 133, 135, 142, 143, 160, 161, 168, 170, 172, 174, 176, 177, 183, 184, 186, 188, 191, 192, 194, 201, 206, 211, 214, 223, 226, 236, 238, 240, 241, 242, 243, 248, 249, 250, 256, 257, 258, 259, 260], "perform": [8, 14, 16, 22, 43, 52, 64, 85, 96, 105, 135, 169, 171, 172, 179, 183, 189, 203, 209, 214, 238, 240, 242, 249, 260], "deep": [8, 233, 240], "greater": 8, "unnam": [8, 13, 18, 20, 29, 42, 62, 64, 65, 66, 67, 69, 70, 79, 86, 93, 96, 101, 105, 106, 117, 122, 123, 124, 128, 129, 135, 138, 139, 140, 141, 143, 158], "typedef": [8, 12, 13, 14, 17, 18, 22, 29, 34, 44, 45, 49, 62, 79, 86, 91, 92, 96, 141], "value_typ": [8, 45, 118, 135, 143, 160, 161], "compat": [8, 79, 179, 209], "allocator_typ": [8, 45, 160, 161], "const_refer": [8, 45, 160, 161], "const_point": [8, 45, 160, 161], "iter": [8, 14, 44, 45, 160, 161], "const_iter": [8, 44, 45, 160, 161], "reverse_iter": [8, 45, 160, 161], "const_reverse_iter": [8, 45, 160, 161], "difference_typ": [8, 45, 160, 161], "size_typ": [8, 45, 143, 160, 161], "intern": [8, 14, 40, 52, 62, 64, 66, 67, 79, 90, 140, 143, 160, 161, 168, 170, 173, 239], "arrayrefcontain": [8, 160, 161], "valuetyp": [8, 9, 10, 11, 14, 45, 160, 161], "inlin": [8, 9, 10, 11, 12, 16, 17, 19, 20, 21, 23, 25, 26, 28, 29, 34, 35, 38, 42, 43, 44, 45, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 65, 69, 70, 71, 76, 78, 80, 81, 83, 84, 85, 86, 87, 88, 90, 91, 92, 93, 94, 95, 96, 97, 98, 101, 105, 106, 107, 108, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 140, 141, 143, 145, 146, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 159], "explicit": [8, 14, 26, 27, 33, 36, 39, 41, 42, 45, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 76, 78, 80, 83, 84, 85, 87, 88, 89, 90, 91, 92, 93, 96, 97, 99, 100, 101, 105, 123, 127, 128, 129, 134, 144], "size_t": [8, 13, 27, 29, 36, 44, 45, 52, 82, 96, 116, 117, 121, 125, 127, 128, 129, 135, 137, 141], "n": [8, 16, 20, 25, 27, 28, 38, 45, 127, 129, 174, 190, 191, 218], "valu": [8, 9, 10, 16, 19, 20, 22, 23, 25, 26, 28, 29, 34, 38, 39, 43, 44, 45, 49, 50, 52, 62, 66, 68, 78, 79, 82, 85, 86, 87, 93, 97, 99, 105, 118, 119, 122, 127, 129, 130, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 160, 161, 168, 170, 171, 173, 174, 176, 209, 249], "inputiter": [8, 45], "last": [8, 23, 45, 63, 69, 83, 93, 208, 244], "note": [8, 25, 29, 63, 83, 119, 129, 135, 143, 167, 170, 174, 176, 177, 184, 186, 187, 188, 191, 199, 203, 206, 240, 242, 249, 253, 254, 260], "detachwithcopi": [8, 160, 161], "explicitli": [8, 167], "implicitli": 8, "ensur": [8, 22, 29, 63, 67, 83, 86, 96, 124, 133, 174, 209, 240, 243, 248], "retriev": [8, 16, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 68, 83, 107, 110, 111, 112, 113, 114, 115], "underli": [8, 19, 65, 84, 91, 92], "constdata": [8, 160, 161], "max_siz": [8, 160, 161], "capac": [8, 160, 161], "reserv": [8, 14, 28, 160, 161, 179], "sz": 8, "resiz": [8, 21, 52, 90, 105, 124, 160, 161, 166], "rbegin": [8, 160, 161], "rend": [8, 160, 161], "front": [8, 160, 161], "assign": [8, 27, 28, 29, 33, 41, 86, 96, 160, 161, 168, 238, 246, 247], "val": 8, "push_back": [8, 160, 161], "v": [8, 40, 42, 43, 44, 128, 129, 135, 177, 179, 194, 240, 248, 250, 258], "pop_back": [8, 160, 161], "eras": [8, 160, 161], "idx": [8, 68, 80], "othert": 8, "swap": [8, 27, 42, 80, 116, 117, 121, 122, 128, 129, 137, 140, 141, 160, 161, 165, 166], "swapandpop": [8, 160, 161], "index": [8, 12, 13, 14, 17, 18, 20, 21, 23, 25, 27, 29, 34, 38, 63, 68, 80, 83, 86, 87, 91, 92, 94, 95, 96, 99, 116, 118, 121, 125, 127, 128, 129, 132, 134, 135, 137, 143, 160, 161, 164, 165, 166, 172, 174, 177, 191, 248], "delet": [8, 50, 52, 70, 96, 105, 125, 127, 134, 158, 169, 183, 201, 207, 213, 223, 244, 246, 248, 253], "valid": [8, 16, 25, 26, 28, 38, 39, 49, 63, 69, 83, 86, 91, 92, 96, 105, 124, 129, 130, 134, 160, 161, 173, 174, 177, 240, 248], "pop": [8, 171, 189, 195, 197, 198, 209, 210, 212, 213, 233], "preserv": [8, 22, 27, 52, 96, 188], "protect": [8, 9, 14, 16, 19, 23, 29, 33, 34, 41, 49, 68, 80, 85, 89, 90, 93, 96, 97, 105, 122, 125, 127, 130, 134, 135, 140, 159, 179], "attribut": [8, 9, 14, 16, 19, 23, 29, 34, 62, 63, 69, 83, 85, 93, 96, 97, 117, 118, 122, 125, 127, 128, 129, 130, 134, 135, 140, 159, 174, 176, 180], "arrai": [9, 14, 19, 21, 22, 23, 27, 28, 29, 40, 52, 63, 83, 85, 86, 96, 116, 117, 118, 122, 124, 125, 128, 129, 135, 137, 140, 143, 160, 161, 168, 170, 173, 174, 177], "store": [9, 19, 21, 24, 25, 26, 29, 38, 39, 40, 43, 52, 63, 64, 65, 80, 81, 83, 96, 116, 117, 118, 119, 122, 128, 137, 143, 205, 210, 248], "figur": [9, 74, 215, 255], "subclass": [9, 11, 16, 29, 46, 49, 67, 122, 127, 128, 129, 130, 132, 140, 142, 146], "coordinateset": [9, 160, 161], "istyp": [9, 160, 161], "match": [9, 24, 29, 40, 50, 63, 66, 68, 69, 79, 80, 81, 83, 118, 169, 174, 234, 240], "placehold": [9, 10, 64, 160, 161], "m_content": [9, 10, 160, 161], "m_data": [9, 19, 23, 29, 160, 161], "holder": [9, 11, 160, 161, 179], "type_info": [9, 10, 11], "clone": [9, 10, 11, 16, 25, 38, 160, 161], "atomtempl": [12, 94, 160, 161], "repres": [12, 13, 17, 18, 19, 22, 24, 27, 29, 34, 40, 43, 50, 64, 65, 67, 68, 84, 96, 122, 132, 162, 172, 199, 236, 238], "moleculeclass": [12, 17], "atomtyp": [12, 18, 29, 33, 41, 86, 91, 96, 160, 161, 165], "molecule_t": [13, 18, 91, 92], "setatomicnumb": [13, 29, 96, 160, 161, 165], "unsign": [13, 15, 16, 18, 22, 23, 24, 25, 28, 29, 38, 40, 43, 45, 62, 66, 69, 85, 86, 96, 101, 106, 108, 128, 129, 135, 140, 141, 142, 143, 160, 161], "num": [13, 25, 29, 96, 172], "proton": [13, 73, 233, 249, 257], "atom": [13, 14, 16, 18, 20, 22, 24, 25, 29, 33, 34, 38, 40, 41, 63, 75, 82, 83, 86, 91, 96, 97, 108, 132, 139, 160, 161, 162, 165, 166, 170, 171, 172, 174, 181, 182, 183, 184, 186, 189, 198, 200, 201, 204, 205, 207, 211, 212, 213, 214, 215, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 230, 231, 233, 235, 236, 238, 243, 244, 246, 247, 248, 252, 258, 260], "atomicnumb": [13, 24, 29, 86, 96, 160, 161, 165], "setposition2d": [13, 160, 161], "vector2": [13, 29, 96], "po": [13, 23, 29, 85, 96, 120, 136], "2d": [13, 29, 213, 243], "Not": 13, "current": [13, 14, 18, 27, 28, 29, 49, 52, 56, 62, 64, 65, 66, 69, 75, 76, 85, 88, 90, 96, 101, 104, 106, 116, 117, 119, 121, 122, 123, 124, 128, 129, 130, 133, 134, 135, 137, 140, 142, 167, 169, 186, 199, 210, 212, 213, 214, 225, 237, 238, 239, 252], "moleculetyp": [13, 18, 91, 92, 160, 161, 165], "compil": [13, 134, 135, 160, 166, 240], "position2d": [13, 160, 161], "setposition3d": [13, 160, 161], "vector3": [13, 22, 23, 26, 29, 39, 40, 42, 82, 86, 96], "3d": [13, 23, 29, 96, 105, 119, 128, 129, 135, 162, 170, 172, 193, 203, 213, 238, 247, 257], "position3d": [13, 29, 86, 96, 160, 161], "sethybrid": [13, 29, 96, 160, 161, 165], "atomhybrid": [13, 29, 96], "hyb": [13, 29, 96], "hybrid": [13, 29, 96, 160, 161, 165, 252, 257], "coordin": [13, 20, 21, 22, 25, 29, 40, 42, 63, 83, 96, 108, 117, 119, 124, 135, 138, 139, 143, 160, 161, 163, 183, 184, 187, 188, 207, 229, 243, 244, 248, 251], "setformalcharg": [13, 29, 96, 160, 161, 165], "sign": [13, 29, 96, 135, 240, 246], "charg": [13, 29, 63, 83, 96, 174, 175, 176, 205, 209, 218, 229, 233, 238, 244, 246, 247, 248, 249, 260], "formal": [13, 29, 96, 205, 229, 246, 248], "formalcharg": [13, 29, 96, 160, 161, 165], "setcolor": [13, 28, 29, 34, 96, 128, 129, 132, 160, 161, 165, 166], "vector3ub": [13, 29, 34, 96, 116, 120, 121, 128, 129, 131, 132, 135, 136, 137, 141, 145], "color": [13, 19, 24, 28, 29, 34, 63, 83, 96, 116, 121, 128, 129, 132, 133, 137, 141, 143, 158, 160, 161, 165, 166, 174, 175, 177, 181, 186, 199, 205, 209, 211, 233, 238, 243, 244, 246, 247, 248], "setlay": [13, 29, 96, 160, 161, 165], "layer": [13, 29, 86, 96, 160, 161, 165, 244, 245, 246, 247, 248], "invalid": [13, 18, 29, 40, 49, 69, 86, 91, 92, 96, 132, 160, 166, 244], "object": [13, 14, 18, 19, 25, 28, 29, 43, 44, 50, 52, 62, 63, 64, 65, 68, 69, 73, 76, 79, 83, 84, 85, 86, 91, 92, 96, 101, 104, 105, 106, 108, 116, 117, 118, 119, 121, 122, 124, 125, 128, 129, 132, 135, 137, 142, 146, 159, 165, 168, 169, 170, 173, 174, 198, 215, 243], "increment": [13, 18], "self": [13, 18, 247], "check": [13, 16, 18, 22, 26, 28, 29, 39, 40, 49, 63, 69, 76, 83, 86, 93, 96, 105, 124, 127, 171, 172, 176, 177, 201, 213, 215, 220, 222, 223, 227, 243, 247, 248, 254, 255, 260], "postfix": [13, 18], "decrement": [13, 18], "setselect": [13, 160, 161], "select": [13, 29, 66, 69, 79, 86, 90, 96, 160, 161, 165, 177, 181, 182, 183, 186, 189, 190, 191, 192, 193, 194, 195, 197, 199, 201, 202, 203, 205, 207, 210, 211, 213, 215, 216, 218, 219, 221, 222, 223, 224, 225, 226, 229, 231, 233, 234, 235, 243, 244, 245, 246, 247, 248, 249], "setforcevector": [13, 29, 96, 160, 161, 165], "forc": [13, 29, 86, 96, 140, 162, 175, 176, 191, 200, 211, 215, 217, 218, 229, 235, 240, 248, 254, 256, 257, 258, 260], "forcevector": [13, 29, 96, 160, 161, 165], "setlabel": [13, 160, 161], "outputtyp": 14, "interfac": [14, 15, 24, 40, 62, 63, 65, 76, 83, 84, 85, 93, 97, 101, 142, 162, 169, 171, 172, 174, 181, 203, 206, 209, 216, 220, 247, 248], "list": [14, 22, 29, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 67, 68, 69, 76, 78, 79, 80, 103, 105, 107, 110, 111, 112, 113, 114, 115, 125, 127, 168, 169, 170, 171, 172, 174, 176, 179, 209, 210, 229, 240, 243, 247, 257], "identifi": [14, 16, 24, 29, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 69, 83, 86, 91, 92, 102, 107, 110, 111, 112, 113, 114, 115, 116, 120, 121, 122, 124, 125, 132, 135, 136, 137, 143, 160, 163, 165, 166, 174], "mol": [14, 15, 20, 22, 23, 26, 33, 34, 39, 40, 41, 57, 59, 62, 63, 64, 65, 70, 72, 76, 83, 96, 101, 168, 169, 170, 172, 209, 253, 258], "nullptr": [14, 26, 29, 33, 36, 39, 41, 50, 52, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 76, 78, 79, 80, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 96, 97, 99, 100, 101, 102, 103, 104, 105, 122, 123, 125, 127, 130, 144, 158, 244], "setmolecul": [14, 16, 20, 36, 64, 65, 70, 76, 101, 105, 158, 160, 161, 164, 165, 178], "obtain": [14, 29, 32, 37, 68, 82, 86, 91, 92, 96, 129, 172], "lookup": [14, 50, 247], "been": [14, 29, 50, 52, 67, 69, 76, 96, 97, 133, 135, 172, 179, 186, 189, 198, 199, 201, 209, 210, 213, 218, 220, 223, 226, 233, 234, 235, 238, 240, 251, 257], "previous": [14, 209, 210, 213, 226], "cach": [14, 52, 63, 67, 83, 93, 176, 247, 248], "There": [14, 63, 82, 83, 174, 192, 193, 194, 213, 239, 240], "correspond": [14, 16, 25, 29, 62, 63, 83, 96, 174, 176, 177, 179, 183, 216, 220, 249], "reset": [14, 49, 52, 63, 83, 91, 92, 93, 97, 105, 119, 124, 158, 160, 161, 164, 165, 186, 211, 221, 225, 226, 227, 243, 244], "typer": 14, "state": [14, 49, 52, 62, 63, 66, 69, 83, 91, 92, 96, 97, 126, 159, 177, 179, 244], "m_type": [14, 134, 160, 161, 166], "initi": [14, 24, 25, 27, 38, 63, 66, 69, 79, 83, 85, 86, 96, 105, 124, 160, 161, 165, 166, 176, 177, 201, 203, 207, 223, 227, 231, 232, 243, 245, 246, 247, 248], "setup": [14, 62, 170, 211, 216, 246], "prior": [14, 62, 179], "enough": [14, 52], "room": 14, "determin": [14, 33, 41, 50, 52, 62, 63, 83, 118, 126, 176, 188, 189, 191, 209, 222, 226, 229, 232, 233, 248], "m_molecul": [14, 16, 96, 160, 161, 165], "popul": [14, 16, 22, 26, 52, 96], "spglib": [15, 40, 96, 184, 243], "short": [15, 29, 40, 43, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 93, 96, 107, 110, 111, 112, 113, 114, 115, 143, 160, 161], "gethallnumb": [15, 160, 161], "carttol": [15, 40, 96], "1e": [15, 40, 96], "hall": [15, 40, 96], "crystal": [15, 40, 42, 181, 185, 189, 199, 207, 209, 211, 238, 244, 248], "unit": [15, 20, 22, 24, 29, 40, 42, 63, 83, 96, 174, 177, 181, 182, 185, 188, 189, 191, 194, 205, 211, 213, 244, 248, 255], "cell": [15, 20, 22, 29, 40, 42, 96, 174, 181, 182, 185, 186, 189, 191, 194, 205, 211, 213, 244, 248, 255], "exist": [15, 23, 27, 29, 44, 52, 66, 68, 86, 96, 103, 127, 135, 169, 173, 174, 220, 236, 244], "algorithm": [15, 22, 85, 96, 187, 209, 214], "fail": [15, 43, 52, 63, 66, 67, 83, 96, 128, 129, 170, 174, 179], "succe": 15, "handl": [15, 22, 49, 50, 64, 69, 76, 79, 89, 90, 93, 101, 105, 118, 134, 143, 160, 163, 164, 165, 166, 168, 169, 170, 173, 238, 243, 248], "cartesian": [15, 20, 22, 25, 38, 40, 42, 96, 170, 174, 183, 184, 187, 188, 199, 211], "toler": [15, 29, 40, 96, 184, 187, 247], "reducetoprimit": [15, 160, 161], "reduc": [15, 22, 40, 96, 179, 181, 185], "primit": [15, 25, 38, 96, 97, 116, 120, 121, 122, 124, 125, 133, 136, 137, 160, 166, 181, 185], "unless": [15, 19, 179], "miss": [15, 236, 244, 247], "conventionalizecel": [15, 96, 160, 161, 165], "refin": [15, 218], "convention": [15, 96], "symmetr": [15, 96, 160, 161, 188, 238], "basi": [16, 25, 26, 29, 38, 39, 63, 83, 108, 109, 174, 179, 209, 248], "gaussianset": [16, 26, 38, 39, 109, 160, 161], "slaterset": [16, 160, 161], "capabl": [16, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 96, 107, 110, 111, 112, 113, 114, 115, 116, 137, 173, 174, 207, 210, 218], "calcul": [16, 25, 26, 28, 29, 38, 39, 63, 64, 65, 69, 83, 85, 106, 119, 142, 164, 174, 182, 183, 184, 186, 189, 191, 211, 216, 218, 226, 229, 232, 233, 235, 238, 247, 249, 251, 260], "electrontyp": [16, 25, 26, 38, 160, 161], "electron": [16, 24, 25, 26, 29, 39, 209, 232, 233, 247], "pair": [16, 25, 26, 27, 28, 29, 35, 38, 63, 83, 86, 96, 117, 160, 161, 174, 176, 177, 209, 232, 238, 247], "alpha": [16, 25, 26, 42, 141, 143, 160, 161, 166, 170, 243, 247], "beta": [16, 25, 26, 42, 160, 161, 170, 236, 237], "cannot": [16, 22, 30, 31, 50, 52, 69, 157, 179, 238], "enumer": [16, 20, 22, 23, 25, 34, 38, 43, 49, 52, 62, 66, 68, 78, 79, 82, 86, 97, 118, 127, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156, 172], "destructor": [16, 25, 28, 38, 52, 85], "setelectroncount": [16, 160, 161], "electroncount": [16, 160, 161], "molecule_": 16, "get": [16, 23, 25, 29, 40, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 83, 85, 86, 88, 91, 92, 96, 103, 104, 105, 107, 110, 111, 112, 113, 114, 115, 116, 118, 119, 121, 122, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 158, 159, 162, 168, 170, 172, 181, 239, 240, 243, 257], "belong": [16, 68, 86, 91, 92], "setnam": [16, 23, 28, 160, 161], "settheorynam": [16, 160, 161], "theorynam": [16, 160, 161], "molecularorbitalcount": [16, 25, 38, 160, 161], "molecular": [16, 25, 26, 29, 38, 39, 63, 83, 105, 162, 167, 168, 169, 170, 171, 172, 174, 181, 193, 195, 196, 199, 203, 206, 211, 213, 215, 220, 229, 230, 232, 236, 238, 239, 247, 248, 251, 252, 257], "orbit": [16, 25, 26, 38, 39, 108, 160, 161, 162, 181, 199, 205, 211, 230, 238, 244, 256, 259], "homo": [16, 160, 161], "given": [16, 23, 24, 25, 27, 29, 40, 43, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 65, 68, 79, 84, 86, 96, 105, 107, 110, 111, 112, 113, 114, 115, 168, 171], "mo": [16, 23, 25, 26, 38, 160, 161, 248], "lumo": [16, 160, 161], "m_electron": [16, 160, 161], "total": [16, 29, 62, 229, 248], "close": [16, 49, 52, 65, 71, 160, 163, 179, 211, 215, 233, 234, 244, 246, 247, 255], "shell": [16, 25, 38, 108, 160, 163], "doubli": 16, "occupi": [16, 52], "hold": [16, 85, 108, 172, 193, 197, 203, 204, 220, 228], "possibli": 16, "bond": [16, 18, 29, 34, 63, 82, 83, 86, 92, 96, 132, 160, 161, 162, 165, 166, 172, 174, 181, 183, 189, 191, 200, 201, 204, 205, 207, 209, 213, 214, 218, 220, 223, 224, 225, 226, 228, 229, 232, 245, 246, 247, 248, 254, 255, 256, 257, 258, 259, 260], "read": [16, 29, 37, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 76, 79, 83, 107, 110, 111, 112, 113, 114, 115, 160, 163, 165, 170, 172, 174, 176, 179, 196, 207, 232, 243, 244, 245, 246, 248], "output": [16, 20, 22, 25, 30, 31, 38, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 66, 69, 83, 93, 107, 108, 110, 111, 112, 113, 114, 115, 157, 163, 164, 168, 169, 170, 173, 174, 208, 215, 218, 232, 234, 235, 247, 248], "necessarili": 16, "m_name": [16, 23, 160, 161], "usual": [16, 172, 240], "standard": [16, 63, 71, 83, 91, 92, 93, 96, 118, 135, 159, 167, 168, 169, 170, 172, 173, 174, 179, 199, 210, 244, 248], "m_theorynam": [16, 160, 161], "theori": [16, 63, 83, 174, 179, 200, 211, 248, 252], "bondtempl": [17, 95, 160, 161], "bondtyp": [17, 29, 86, 92, 96, 160, 161, 165], "atom1": [18, 29, 86, 96, 160, 161], "atom2": [18, 29, 86, 96, 160, 161], "setord": [18, 160, 161], "o": [18, 93, 119, 127, 137, 159, 168, 201, 208, 218, 223, 240, 260], "getotheratom": [18, 160, 161], "represent": [19, 22, 42, 63, 83, 135, 173, 174, 179, 199, 208], "rgb": [19, 63, 83, 141, 174], "three": [19, 24, 25, 38, 128, 129, 143, 199, 207, 226, 229], "float": [19, 23, 28, 43, 85, 116, 119, 120, 121, 122, 124, 125, 126, 128, 131, 133, 135, 136, 137, 139, 140, 141, 143, 145, 160, 161, 168, 170, 172, 247], "rang": [19, 22, 63, 83, 125, 127, 129, 135, 141, 143, 168, 170, 174, 177, 209, 229, 238, 247, 257], "intens": [19, 29, 247], "red": [19, 141, 143, 160, 161, 166, 199, 219, 233, 238], "green": [19, 141, 143, 160, 161, 166, 199, 219], "memori": [19, 25, 52, 96, 135, 246], "3": [19, 28, 63, 83, 85, 128, 129, 135, 141, 143, 160, 161, 168, 170, 177, 183, 187, 191, 201, 211, 214, 215, 223, 240, 243, 249, 250, 257, 258, 259], "pass": [19, 23, 28, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 69, 76, 83, 84, 85, 93, 101, 105, 107, 110, 111, 112, 113, 114, 115, 122, 123, 135, 167, 169, 174, 244, 247], "directli": [19, 50, 68, 168, 179, 190, 192, 196, 232], "opengl": [19, 124, 133, 162, 240, 246, 247, 248], "conveni": [19, 29, 44, 49, 50, 52, 67, 68, 86, 162, 207, 212, 248], "written": [19, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 83, 85, 107, 110, 111, 112, 113, 114, 115, 169, 174, 177, 179, 233], "emphasi": 19, "effici": [19, 212, 244], "layout": [19, 66, 88], "black": [19, 133, 201, 204, 223, 227, 228], "integ": [19, 23, 28, 143, 174], "255": [19, 63, 83, 135, 141, 174], "expect": [19, 24, 25, 28, 63, 83, 85, 104, 169, 170, 174, 179, 240, 248], "align": [20, 22, 133, 141, 174, 181, 182, 183, 186, 191, 192, 211, 224, 248], "see": [20, 29, 52, 63, 65, 79, 83, 86, 96, 106, 135, 143, 162, 169, 173, 174, 184, 187, 188, 191, 192, 209, 232, 257], "setspecif": [20, 160, 161], "detail": [20, 22, 49, 52, 62, 63, 65, 66, 73, 83, 162, 168, 169, 170, 171, 173, 174, 209], "distanceunit": [20, 160, 161], "distanc": [20, 40, 42, 119, 139, 160, 161, 166, 182, 183, 209, 215, 226, 247, 248, 255], "angstrom": [20, 22, 42, 160, 161, 191, 207, 215], "bohr": [20, 160, 161, 191, 207], "setdistanceunit": [20, 160, 161], "spec": 20, "inform": [20, 25, 29, 40, 63, 83, 96, 105, 124, 135, 169, 174, 176, 179, 188, 198, 199, 204, 205, 207, 209, 211, 212, 215, 218, 220, 225, 228, 239, 246], "z": [20, 23, 29, 170, 174, 182, 186, 191, 192, 199, 207, 209, 213, 219, 221, 243], "6": [20, 22, 28, 63, 75, 83, 85, 124, 159, 160, 161, 168, 170, 172, 174, 191, 215, 240, 248, 252, 258], "carbon": [20, 24, 29, 75, 171, 172, 174, 176, 181, 186, 207, 222, 224, 227, 229, 251, 257, 258, 259], "l": [20, 120, 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55, 56, 57, 58, 59, 60, 61, 62, 63, 66, 69, 70, 83, 86, 96, 107, 110, 111, 112, 113, 114, 115, 135, 160, 165, 170], "rotatetostandardorient": [22, 160, 161], "opt": [22, 62, 96, 143, 171, 172], "rotat": [22, 96, 119, 141, 160, 166, 181, 182, 186, 190, 203, 214, 219, 222, 225, 227, 238, 243, 248, 251, 255], "axi": [22, 29, 119, 121, 133, 182, 183, 186, 191, 213, 219], "xy": [22, 38, 160, 161, 182, 186, 191], "plane": [22, 29, 119, 138, 182, 186, 191, 213, 218, 222], "trig": 22, "sinc": [22, 52, 168, 170, 172, 176, 177, 184, 187, 190, 194, 231, 238, 255], "fragil": 22, "neg": [22, 82, 238], "angl": [22, 42, 119, 201, 209, 213, 215, 223, 224, 226, 246, 247, 248, 259, 260], "found": [22, 29, 40, 44, 50, 63, 68, 78, 79, 80, 81, 83, 85, 86, 125, 127, 162, 171, 174, 199, 204, 207, 208, 209, 212, 228, 231, 234, 239, 240, 243, 244, 245, 246, 247], "http": [22, 52, 85, 173, 176, 179, 191, 194, 195, 209, 240, 243, 244, 246, 247], "xtalopt": [22, 167], "openmolecul": 22, "net": [22, 199, 249], 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171, 172, 179, 189, 203, 211, 231, 238, 239], "extend": [22, 162, 175, 239, 243, 251, 252], "isnigglireduc": [22, 160, 161], "alreadi": [22, 40, 67, 86, 96, 108, 173, 189, 201, 216, 223, 248], "gruber": 22, "cryst": 22, "1973": 22, "29": 22, "4": [22, 85, 106, 129, 141, 142, 160, 161, 167, 170, 180, 182, 187, 191, 214, 220, 238, 250, 252, 258], "433": 22, "440": [22, 243], "buildsupercel": [22, 96, 160, 161, 165], "supercel": [22, 96, 181, 182, 185, 187], "expand": [22, 66, 69, 188, 189, 213], "upon": [22, 96, 127, 179], "setcellmatrix": [22, 42, 160, 161], "matrix3": [22, 42, 96], "newcellcolmatrix": 22, "ignor": [22, 29, 63, 83, 96, 97, 105, 143, 160, 165, 174, 176, 211, 215, 240, 247], "fractionalcoordin": [22, 160, 161], "unitcel": [22, 29, 86, 160, 161, 165, 170], "cart": [22, 42], "frac": [22, 42], "coord": [22, 29, 63, 83, 170, 172, 174, 244, 247], "atompositions3d": [22, 29, 96, 160, 161, 165], "setfractionalcoordin": [22, 160, 161], "regularli": [23, 147], "grid": [23, 168], 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"vector3f": [23, 28, 85, 116, 117, 119, 120, 121, 122, 124, 125, 126, 128, 129, 133, 135, 136, 137, 139, 140], "trilinear": 23, "interpol": [23, 143], "quit": [23, 85, 244], "computation": 23, "expens": [23, 52, 85, 179], "setvalu": [23, 43, 44, 160, 161], "fill": [23, 40, 96, 106, 142, 160, 161, 213, 248], "fillstrip": [23, 160, 161], "kfirst": 23, "klast": 23, "stripe": 23, "minvalu": [23, 160, 161], "maxvalu": [23, 160, 161], "name_": [23, 28], "setcubetyp": [23, 160, 161], "cubetyp": [23, 160, 161], "mutex": [23, 28, 160, 161], "lock": [23, 28, 32, 37, 85, 160, 161, 220, 238, 244, 247], "m_min": [23, 85, 160, 161, 165], "m_max": [23, 160, 161], "m_space": [23, 160, 161], "m_point": [23, 160, 161], "m_minvalu": [23, 160, 161], "m_maxvalu": [23, 160, 161], "m_cubetyp": [23, 160, 161], "m_lock": [23, 160, 161], "basic": [24, 40, 85, 165, 167, 201, 208, 224, 229, 247, 251, 257, 259], "automat": [24, 96, 168, 170, 179, 190, 201, 213, 222, 223, 225, 226, 231, 234, 235, 240, 247, 248], 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38], "orthogon": [25, 38], "independ": [25, 38, 50, 179], "That": [25, 38, 238], "px": [25, 38, 160, 161], "py": [25, 38, 160, 161, 170, 172, 176, 246], "pz": [25, 38, 160, 161], "five": [25, 38, 199, 229], "six": [25, 38, 199], "sp": [25, 108, 160, 161, 257, 259], "d5": [25, 108, 160, 161], "f7": [25, 108, 160, 161], "g9": [25, 160, 161], "h11": [25, 160, 161], "i13": [25, 160, 161], "uu": [25, 38, 108, 160, 161], "addbasi": [25, 160, 161], "addgto": [25, 160, 161], "setmolecularorbit": [25, 160, 161], "correctli": [25, 105, 168, 170, 187, 216], "sequenc": [25, 63, 83, 96, 174, 190, 192], "setcount": [25, 160, 161], "setactivesetstep": [25, 160, 161], "matrix": [25, 38, 42, 43, 96, 119, 135, 160, 161], "setmolecularorbitalenergi": [25, 160, 161], "energi": [25, 175, 176, 211, 214, 218, 250, 253, 254, 255, 258, 260], "hartre": 25, "setmolecularorbitaloccup": [25, 160, 161], "occ": 25, "occup": 25, "setmolecularorbitalnumb": [25, 160, 161], "enabl": [25, 63, 65, 83, 93, 96, 97, 105, 135, 158, 169, 174, 183, 217, 232, 240, 244, 245, 246, 247, 248, 256], "spars": 25, "map": [25, 29, 34, 35, 44, 72, 100, 116, 124, 135, 137, 143, 168, 172, 181], "actual": [25, 63, 76, 83, 85, 90, 106, 129, 172, 174, 176], "setdensitymatrix": [25, 160, 161], "matrixx": [25, 29, 38, 43, 52], "scf": 25, "densiti": [25, 26, 38, 39, 209, 232, 233], "setspindensitymatrix": [25, 160, 161], "spin": [25, 26, 29, 39, 63, 83, 174, 177, 248], "generatedensitymatrix": [25, 160, 161], "generatespindensitymatrix": [25, 160, 161], "outputal": [25, 38, 111, 113, 115, 160, 161, 163], "debug": [25, 93, 160, 164, 165, 171, 211], "routin": 25, "setscftyp": [25, 160, 161], "scftype": [25, 160, 161], "setfunctionalnam": [25, 160, 161], "applic": [25, 63, 76, 83, 101, 104, 162, 174, 176, 179, 194, 240, 251], "functionalnam": [25, 160, 161], "initcalcul": [25, 38, 160, 161], "anyth": [25, 38, 101, 125, 232], "symmetri": [25, 38, 160, 161, 181, 185, 243], "accessor": [25, 38], "properti": [25, 29, 38, 63, 83, 86, 106, 140, 142, 160, 165, 174, 209, 211, 231, 233, 245, 246, 247, 248, 257, 260], "atomindic": [25, 160, 161], "moindic": [25, 160, 161], "gtoindic": [25, 160, 161], "cindic": [25, 160, 161], "gtoa": [25, 160, 161], "gtoc": [25, 160, 161], "gtocn": [25, 160, 161], "momatrix": [25, 160, 161], "moenergi": [25, 108, 160, 161, 163], "mooccup": [25, 160, 161], "monumb": [25, 160, 161], "densitymatrix": [25, 38, 160, 161], "spindensitymatrix": [25, 160, 161], "setelectrontyp": [26, 160, 161], "onc": [26, 52, 85, 134, 183, 186, 189, 199, 201, 209, 216, 222, 223, 229, 234, 240], "calculatemolecularorbit": [26, 39, 160, 161], "cube": [26, 28, 29, 85, 158, 160, 161, 165, 178, 246, 247], "molecularorbitalnumb": [26, 39], "calculateelectrondens": [26, 39, 160, 161], "calculatespindens": [26, 39, 160, 161], "vertic": [27, 28, 117, 119, 128, 129, 141, 160, 161, 166], "edg": [27, 143, 160, 161, 188, 248], "wherein": 27, "edgecount": [27, 160, 161], "destroi": [27, 29, 43, 44, 86], "setsiz": [27, 160, 161], "smaller": [27, 187, 238], "remov": [27, 28, 29, 40, 50, 52, 62, 82, 86, 96, 125, 127, 135, 160, 165, 179, 194, 208, 211, 240, 243, 244, 246, 248], "higher": [27, 234], "them": [27, 49, 63, 83, 129, 135, 168, 171, 179, 183, 199, 240], "These": [27, 29, 62, 63, 65, 83, 85, 162, 168, 209, 213, 216, 218, 234, 238, 243], "guarante": [27, 82], "regard": [27, 179, 218], "larger": [27, 52, 187, 197, 238], "unconnect": 27, "isempti": [27, 44, 160, 161], "addvertex": [27, 160, 161], "unchang": 27, "removevertex": [27, 160, 161], "highest": [27, 75], "swapvertexindic": [27, 160, 161], "affect": [27, 52, 86, 119, 179], "vertexcount": [27, 129, 160, 161, 166], "addedg": [27, 160, 161], "removeedg": [27, 160, 161], "remain": [27, 179], "edgeindex": 27, "editedgeinplac": [27, 160, 161], "swapedgeindic": [27, 160, 161], "edgeindex1": 27, "edgeindex2": 27, "neighbor": [27, 143, 160, 161, 248, 260], "endpoint": [27, 160, 161], "incid": 27, "degre": [27, 119, 160, 161, 222, 225, 248], 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"class-avogadro-core-atom"]], "Class Avogadro::Core::CoordinateBlockGenerator": [[20, "class-avogadro-core-coordinateblockgenerator"]], "Documenting Code": [[1, "documenting-code"]], "Class Descriptions": [[1, "class-descriptions"]], "Function Descriptions": [[1, "function-descriptions"]], "Class Avogadro::Core::ArraySet::Holder": [[10, "class-avogadro-core-arrayset-holder"]], "Class Avogadro::Core::Color3f": [[19, "class-avogadro-core-color3f"]], "Class Avogadro::Core::AtomTyper": [[14, "class-avogadro-core-atomtyper"]], "Coding Conventions (C++)": [[3, "coding-conventions-c"]], "C++ Features": [[3, "c-features"]], "Including Headers": [[3, "including-headers"]], "Export Macro Headers": [[3, "export-macro-headers"]], "Private Headers": [[3, "private-headers"]], "Qt Headers": [[3, "qt-headers"]], "Namespaces": [[3, "namespaces"]], "Casting": [[3, "casting"]], "Aesthetics": [[3, "aesthetics"]], "Translations": [[7, "translations"]], "Current Status": [[7, "current-status"]], "Credits": [[7, "credits"], [248, "credits"], [247, "credits"], [243, "credits"], [246, "credits"], [244, "credits"], [245, "credits"]], "Class Avogadro::Core::Bond": [[17, "class-avogadro-core-bond"]], "Class Avogadro::Core::CoordinateSet": [[21, "class-avogadro-core-coordinateset"]], "Hydrogen Clusters": [[255, "hydrogen-clusters"]], "Task": [[255, "task"], [259, "task"], [250, "task"], [258, "task"], [256, "task"], [254, "task"], [252, "task"], [260, "task"]], "Solution": [[255, "solution"], [259, "solution"], [258, "solution"], [253, "solution"], [256, "solution"], [260, "solution"], [249, "solution"]], "Issues": [[255, "issues"]], "See also": [[255, "see-also"], [259, "see-also"], [250, "see-also"], [258, "see-also"], [256, "see-also"], [254, "see-also"], [252, "see-also"], [260, "see-also"]], "Sources": [[255, "sources"], [256, "sources"], [260, "sources"]], "Organic Hybridization": [[259, "organic-hybridization"]], "Further reading": [[259, "further-reading"], [258, "further-reading"], [252, "further-reading"], [249, "further-reading"]], "Alkene Isomers": [[250, "alkene-isomers"]], "Markovnikov\u2019s Rule": [[258, "markovnikovs-rule"]], "Educational Publications Using Avogadro": [[251, "educational-publications-using-avogadro"]], "Yes We Chem": [[251, "yes-we-chem"]], "Computational Chemistry": [[251, "computational-chemistry"]], "Spectra / Spectroscopy": [[251, "spectra-spectroscopy"]], "Chemical Reactions and Mechanisms": [[251, "chemical-reactions-and-mechanisms"]], "Materials / Nano": [[251, "materials-nano"]], "Cheminformatics": [[251, "cheminformatics"]], "3D Printing and VR": [[251, "d-printing-and-vr"]], "Remote Teaching": [[251, "remote-teaching"]], "1,3-diaxial interactions": [[253, "diaxial-interactions"]], "Tasks": [[253, "tasks"], [249, "tasks"]], "Hydrogen Molecule": [[256, "hydrogen-molecule"]], "HCN dipole": [[254, "hcn-dipole"]], "Basic VSEPR": [[252, "basic-vsepr"]], "Teach": [[257, "teach"]], "Publications": [[257, "publications"]], "Activities": [[257, "activities"]], "General Chemistry": [[257, "general-chemistry"]], "Organic Chemistry": [[257, "organic-chemistry"]], "Biochemistry:": [[257, "biochemistry"]], "Water": [[260, "water"]], "Class Avogadro::MoleQueue::MoleQueueDialog": [[66, "class-avogadro-molequeue-molequeuedialog"]], "Class Avogadro::MoleQueue::InputGenerator": [[63, "class-avogadro-molequeue-inputgenerator"]], "Script Entry Points": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md0"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md14"], [169, "script-entry-points"], [174, "script-entry-points"]], "Specifying parameters with \u2013print-options": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md1"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md15"]], "Fixed Mutually-Exclusive Parameter Lists": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md2"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md16"]], "Short Free-Form Text Parameters": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md3"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md17"], [177, "short-free-form-text-parameters"]], "Existing files": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md4"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md18"], [177, "existing-files"]], "Clamped Integer Values": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md5"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md19"]], "Boolean Parameters": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md6"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md20"], [177, "boolean-parameters"]], "Special Parameters": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md7"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md21"], [174, "special-parameters"]], "Syntax Highlighting": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md8"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md22"], [174, "syntax-highlighting"]], "Requesting Full Structure of Current Molecule": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md9"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md23"], [174, "requesting-full-structure-of-current-molecule"]], "Handling User Selections: \u2013generate-input": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md10"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md24"]], "Automatic Generation of Geometry": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md11"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md25"], [174, "automatic-generation-of-geometry"]], "Error Handling": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md12"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md26"], [174, "error-handling"]], "Debugging": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md13"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md27"], [169, "debugging"], [174, "debugging"]], "Class Avogadro::Io::FileFormatManager": [[50, "class-avogadro-io-fileformatmanager"]], "Class Avogadro::MoleQueue::InputGeneratorDialog": [[64, "class-avogadro-molequeue-inputgeneratordialog"]], "Class Avogadro::Io::MdlFormat": [[56, "class-avogadro-io-mdlformat"]], "Class Avogadro::Io::PdbFormat": [[58, "class-avogadro-io-pdbformat"]], "Class Avogadro::Io::OutcarFormat": [[57, "class-avogadro-io-outcarformat"]], "Class Avogadro::MoleQueue::InputGeneratorWidget": [[65, "class-avogadro-molequeue-inputgeneratorwidget"]], "Class Avogadro::Io::Hdf5DataFormat": [[52, "class-avogadro-io-hdf5dataformat"]], "Class Avogadro::Io::PoscarFormat": [[59, "class-avogadro-io-poscarformat"]], "Class Avogadro::Io::XyzFormat": [[61, "class-avogadro-io-xyzformat"]], "Class Avogadro::QtGui::ElementItem": [[74, "class-avogadro-qtgui-elementitem"]], "Class Avogadro::Io::LammpsDataFormat": [[53, "class-avogadro-io-lammpsdataformat"]], "Class Avogadro::MoleQueue::MoleQueueWidget": [[69, "class-avogadro-molequeue-molequeuewidget"]], "Class Avogadro::Io::LammpsTrajectoryFormat": [[54, "class-avogadro-io-lammpstrajectoryformat"]], "Class Avogadro::QtGui::ElementDetail": [[73, "class-avogadro-qtgui-elementdetail"]], "Class Avogadro::MoleQueue::BatchJob": [[62, "class-avogadro-molequeue-batchjob"]], "Class Avogadro::QtGui::CustomElementDialog": [[72, "class-avogadro-qtgui-customelementdialog"]], "Class Avogadro::Io::MMTFFormat": [[55, "class-avogadro-io-mmtfformat"]], "Class Avogadro::QtGui::ContainerWidget": [[71, "class-avogadro-qtgui-containerwidget"]], "Class Avogadro::Io::GromacsFormat": [[51, "class-avogadro-io-gromacsformat"]], "Class Avogadro::MoleQueue::MoleQueueManager": [[67, "class-avogadro-molequeue-molequeuemanager"]], "Class Avogadro::QtGui::BackgroundFileFormat": [[70, "class-avogadro-qtgui-backgroundfileformat"]], "Class Avogadro::Io::TrrFormat": [[60, "class-avogadro-io-trrformat"]], "Class Avogadro::MoleQueue::MoleQueueQueueListModel": [[68, "class-avogadro-molequeue-molequeuequeuelistmodel"]], "Class Avogadro::QtGui::RWMolecule": [[96, "class-avogadro-qtgui-rwmolecule"]], "Class Avogadro::QtGui::PeriodicTableView": [[90, "class-avogadro-qtgui-periodictableview"]], "Class Avogadro::QtGui::GenericHighlighter::Rule": [[81, "class-avogadro-qtgui-generichighlighter-rule"]], "Class Avogadro::QtGui::HydrogenTools": [[82, "class-avogadro-qtgui-hydrogentools"]], "Class Avogadro::QtGui::ExtensionPluginFactory": [[77, "class-avogadro-qtgui-extensionpluginfactory"]], "Class Avogadro::QtGui::GenericHighlighter": [[80, "class-avogadro-qtgui-generichighlighter"]], "Class Avogadro::QtGui::ElementTranslator": [[75, "class-avogadro-qtgui-elementtranslator"]], "Class Avogadro::QtGui::InterfaceScript": [[83, "class-avogadro-qtgui-interfacescript"]], "Class Avogadro::QtGui::ScenePluginFactory": [[98, "class-avogadro-qtgui-scenepluginfactory"]], "Class Avogadro::QtGui::RWBond": [[95, "class-avogadro-qtgui-rwbond"]], "Class Avogadro::QtGui::RWAtom": [[94, "class-avogadro-qtgui-rwatom"]], "Class Avogadro::QtGui::ScenePluginModel": [[99, "class-avogadro-qtgui-scenepluginmodel"]], "Class Avogadro::QtGui::MoleculeModel": [[87, "class-avogadro-qtgui-moleculemodel"]], "Class Avogadro::QtGui::ExtensionPlugin": [[76, "class-avogadro-qtgui-extensionplugin"]], "Class Avogadro::QtGui::ScenePlugin": [[97, "class-avogadro-qtgui-sceneplugin"]], "Class Avogadro::QtGui::PersistentAtom": [[91, "class-avogadro-qtgui-persistentatom"]], "Class Avogadro::QtGui::PersistentBond": [[92, "class-avogadro-qtgui-persistentbond"]], "Class Avogadro::QtGui::FileFormatDialog": [[79, "class-avogadro-qtgui-fileformatdialog"]], "Class Avogadro::QtGui::InterfaceWidget": [[84, "class-avogadro-qtgui-interfacewidget"]], "Class Avogadro::QtGui::FileBrowseWidget": [[78, "class-avogadro-qtgui-filebrowsewidget"]], "Class Avogadro::QtGui::PythonScript": [[93, "class-avogadro-qtgui-pythonscript"]], "Class Avogadro::QtGui::MeshGenerator": [[85, "class-avogadro-qtgui-meshgenerator"]], "Class Avogadro::QtGui::Molecule": [[86, "class-avogadro-qtgui-molecule"]], "Class Avogadro::QtGui::MultiViewWidget": [[88, "class-avogadro-qtgui-multiviewwidget"]], "Class Avogadro::QtGui::PeriodicTableScene": [[89, "class-avogadro-qtgui-periodictablescene"]], "Introduction": [[203, "introduction"]], "Opening a File": [[203, "opening-a-file"]], "Importing by Name": [[203, "importing-by-name"]], "Navigation": [[203, "navigation"]], "Edit Menu": [[208, "edit-menu"]], "Undo": [[208, "undo"]], "Redo": [[208, "redo"]], "Cut": [[208, "cut"]], "Copy": [[208, "copy"]], "Copy As": [[208, "copy-as"]], "Paste": [[208, "paste"]], "Clear": [[208, "clear"]], "Select All": [[208, "select-all"], [212, "select-all"]], "Select None": [[208, "select-none"], [212, "select-none"]], "Making Selections": [[204, "making-selections"]], "Auto-Rotate Tool": [[221, "auto-rotate-tool"]], "User Guide": [[206, "user-guide"]], "Avogadro 2": [[206, "avogadro-2"]], "Select Menu": [[212, "select-menu"]], "Invert Selection": [[212, "invert-selection"]], "Select SMARTS\u2026": [[212, "select-smarts"]], "Select by Element\u2026": [[212, "select-by-element"]], "Select by Residue\u2026": [[212, "select-by-residue"]], "Select Solvent": [[212, "select-solvent"]], "Add Name Selection\u2026": [[212, "add-name-selection"]], "Menus": [[211, "menus"], [211, null]], "File Menu": [[210, "file-menu"]], "New": [[210, "new"]], "Open": [[210, "open"]], "Open Recent": [[210, "open-recent"]], "Close": [[210, "close"]], "Save": [[210, "save"]], "Save As\u2026": [[210, "save-as"]], "Revert to Saved": [[210, "revert-to-saved"]], "Import": [[210, "import"]], "Export": [[210, "export"]], "Saving Files": [[205, "saving-files"]], "Exporting to Other Formats": [[205, "exporting-to-other-formats"]], "Auto-Optimize Tool": [[220, "auto-optimize-tool"]], "Force Fields & Algorithms": [[220, "force-fields-algorithms"]], "Fixing & Ignoring Selections": [[220, "fixing-ignoring-selections"]], "Align Tool": [[219, "align-tool"]], "Display Types": [[200, "display-types"], [200, null]], "Introduction to Molecular Mechanics": [[218, "introduction-to-molecular-mechanics"]], "UFF": [[218, "uff"]], "MMFF94(s)": [[218, "mmff94-s"]], "GAFF": [[218, "gaff"]], "Tools": [[224, "tools"], [224, null]], "Getting Started": [[202, "getting-started"]], "Draw Tool": [[223, "draw-tool"]], "Creating Carbon Dioxide": [[223, "creating-carbon-dioxide"], [201, "creating-carbon-dioxide"]], "Finding Conformers of Molecules": [[214, "finding-conformers-of-molecules"]], "Start with your molecule of interest": [[214, "start-with-your-molecule-of-interest"]], "Optimize the geometry": [[214, "optimize-the-geometry"]], "Change the force field options": [[214, "change-the-force-field-options"]], "Set the conformer search options": [[214, "set-the-conformer-search-options"]], "Pick a search method and start the search": [[214, "pick-a-search-method-and-start-the-search"]], "Optimizing Geometry": [[217, "optimizing-geometry"]], "Optimization": [[217, null]], "Build Menu": [[207, "build-menu"]], "Cartesian Editor\u2026": [[207, "cartesian-editor"]], "1. Sort by\u2026": [[207, "sort-by"]], "2. Unit of Measure": [[207, "unit-of-measure"]], "3. Editing & Modifying Data": [[207, "editing-modifying-data"]], "Change H to Methyl": [[207, "change-h-to-methyl"]], "Add Hydrogens": [[207, "add-hydrogens"]], "Add Hydrogens for pH\u2026": [[207, "add-hydrogens-for-ph"]], "Remove Hydrogens": [[207, "remove-hydrogens"]], "Insert": [[207, "insert"]], "Invert Chirality": [[207, "invert-chirality"]], "Super Cell Builder\u2026": [[207, "super-cell-builder"]], "Nanotube Builder\u2026": [[207, "nanotube-builder"]], "Drawing Molecules": [[201, "drawing-molecules"]], "Extension Menu": [[209, "extension-menu"]], "Animation": [[209, "animation"]], "Optimize Geometry": [[209, "optimize-geometry"]], "Molecular Mechanics": [[209, "molecular-mechanics"]], "Setup Force Field\u2026": [[209, "setup-force-field"]], "Calculate Energy": [[209, "calculate-energy"]], "Conformer Search": [[209, "conformer-search"]], "Constraints": [[209, "constraints"], [215, "constraints"]], "Ignore Selection": [[209, "ignore-selection"]], "Fix Selected Atoms": [[209, "fix-selected-atoms"]], "Avogadro Extensions\u2013Plugins": [[209, "avogadro-extensionsplugins"]], "General \u201cHow To\u201d for Plugins": [[209, "general-how-to-for-plugins"]], "Running Gaussian": [[209, "running-gaussian"]], "Molecular Orbitals": [[209, "molecular-orbitals"]], "QTAIM (Quantum Theory of Atoms in Molecules)": [[209, "qtaim-quantum-theory-of-atoms-in-molecules"], [199, "qtaim-quantum-theory-of-atoms-in-molecules"]], "Spectra\u2026": [[209, "spectra"]], "Create Surfaces\u2026": [[209, "create-surfaces"]], "Geometry Constraints": [[215, "geometry-constraints"]], "Example": [[215, "example"]], "Optimizations": [[215, "optimizations"]], "Example cont.": [[215, "example-cont"]], "Enabling additional force fields": [[216, "enabling-additional-force-fields"]], "Creating an avogadro conda environment": [[216, "creating-an-avogadro-conda-environment"]], "Setting the Python path": [[216, "setting-the-python-path"]], "Bond-Centric Manipulate Tool": [[222, "bond-centric-manipulate-tool"]], "Starting with the basics:": [[222, "starting-with-the-basics"]], "Adjusting Bonds and Torsion Angles": [[222, "adjusting-bonds-and-torsion-angles"]], "View Menu": [[213, "view-menu"]], "New View": [[213, "new-view"]], "Duplicate View": [[213, "duplicate-view"]], "Detach View": [[213, "detach-view"]], "Close View": [[213, "close-view"]], "Center": [[213, "center"]], "Align View to Axes": [[213, "align-view-to-axes"]], "Full Screen": [[213, "full-screen"]], "Reset Display Types": [[213, "reset-display-types"]], "Set Background Color\u2026": [[213, "set-background-color"]], "Projection": [[213, "projection"]], "Display Axes": [[213, "display-axes"]], "Debug Information": [[213, "debug-information"]], "Use Quick Render": [[213, "use-quick-render"]], "All Molecules in File\u2026": [[213, "all-molecules-in-file"]], "Crystal View Options\u2026": [[213, "crystal-view-options"]], "Properties": [[213, "properties"]], "Release Notes v1.98.0": [[248, "release-notes-v1-98-0"]], "\ud83c\udf1f Highlights (tldr)": [[248, "highlights-tldr"]], "\u2728 Features": [[248, "features"], [247, "features"], [246, "features"], [244, "features"], [245, "features"]], "\ud83d\udc1b Bug Fixes": [[248, "bug-fixes"], [247, "bug-fixes"], [243, "bug-fixes"], [246, "bug-fixes"], [244, "bug-fixes"], [245, "bug-fixes"]], "\ud83d\ude80 Performance Improvements": [[248, "performance-improvements"], [247, "performance-improvements"]], "\ud83e\uddf0 Maintenance": [[248, "maintenance"], [247, "maintenance"], [243, "maintenance"], [246, "maintenance"], [244, "maintenance"], [245, "maintenance"]], "\ud83d\udcda Translations": [[248, "translations"], [247, "translations"], [246, "translations"], [244, "translations"], [245, "translations"]], "Viewing Vibrations": [[235, "viewing-vibrations"]], "Viewing Electrostatic Potential Maps": [[233, "viewing-electrostatic-potential-maps"]], "Changing Surface Settings": [[233, "changing-surface-settings"]], "Release Notes v1.97.0": [[247, "release-notes-v1-97-0"]], "Highlights (tldr)": [[247, "highlights-tldr"]], "Release Notes v1.94.0": [[243, "release-notes-v1-94-0"]], "Features": [[243, "features"], [239, "features"]], "\ud83d\udc0d Python Improvements": [[243, "python-improvements"]], "Tutorials": [[230, "tutorials"], [230, null]], "Release Notes v1.96.0": [[246, "release-notes-v1-96-0"]], "Changes": [[246, "changes"], [244, "changes"]], "\ud83d\ude80 Performance Fixes": [[246, "performance-fixes"]], "Naming a Molecule": [[231, "naming-a-molecule"]], "Template Tool": [[229, "template-tool"], [238, "template-tool"]], "Inserting Atoms with Specific Geometry": [[229, "inserting-atoms-with-specific-geometry"]], "Attaching Ligands": [[229, "attaching-ligands"]], "Attaching Functional Groups": [[229, "attaching-functional-groups"]], "Creating New Ligands": [[229, "creating-new-ligands"]], "Creating New Haptic Ligands": [[229, "creating-new-haptic-ligands"]], "Selection Tool": [[228, "selection-tool"]], "Manipulate Tool": [[225, "manipulate-tool"]], "Version History": [[242, "version-history"], [242, null]], "Building Source Code": [[240, "building-source-code"]], "Cloning Repositories": [[240, "cloning-repositories"]], "Updating": [[240, "updating"]], "Prerequisites": [[240, "prerequisites"]], "Debian-based Distribution or Ubuntu": [[240, "debian-based-distribution-or-ubuntu"]], "Fedora 39": [[240, "fedora-39"]], "Building": [[240, "building"]], "Finding Qt, Windows Generators": [[240, "finding-qt-windows-generators"]], "Normal Development": [[240, "normal-development"]], "Build Tree Layout": [[240, "build-tree-layout"]], "Running Executables": [[240, "running-executables"]], "Building Packages": [[240, "building-packages"]], "Major New Features": [[238, "major-new-features"]], "Speed and Stability": [[238, "speed-and-stability"]], "Rendering": [[238, "rendering"]], "New real-time shadows and depth effects": [[238, "new-real-time-shadows-and-depth-effects"]], "New \u201cclose contact\u201d rendering": [[238, "new-close-contact-rendering"]], "New non-bonded rendering analysis, including hydrogen bonds, halogen bonds, and chalcogen bonds": [[238, "new-non-bonded-rendering-analysis-including-hydrogen-bonds-halogen-bonds-and-chalcogen-bonds"]], "New cartoon / ribbon styles for proteins": [[238, "new-cartoon-ribbon-styles-for-proteins"]], "Layers": [[238, "layers"]], "Symmetry Properties": [[238, "symmetry-properties"]], "Solvent Accessible and Solvent Excluded Surfaces": [[238, "solvent-accessible-and-solvent-excluded-surfaces"]], "Flexible Electrostatics Models": [[238, "flexible-electrostatics-models"]], "New Analysis Tools": [[238, "new-analysis-tools"]], "Python Commands / Plugins": [[238, "python-commands-plugins"]], "Python Scripting and Jupyter Integration": [[238, "python-scripting-and-jupyter-integration"]], "New and updated interfaces to external programs": [[238, "new-and-updated-interfaces-to-external-programs"]], "Using QTAIM (Atoms in Molecules) Analysis": [[232, "using-qtaim-atoms-in-molecules-analysis"]], "Start with a WFN File": [[232, "start-with-a-wfn-file"]], "Navigate Tool": [[227, "navigate-tool"]], "Measure Tool": [[226, "measure-tool"]], "Install": [[241, "install"], [239, "install"]], "Acid-Base Properties of Amino Acids": [[249, "acid-base-properties-of-amino-acids"]], "Resources": [[239, "resources"]], "Connecting with the Avogadro community": [[239, "connecting-with-the-avogadro-community"]], "Release Notes v1.95.0": [[244, "release-notes-v1-95-0"]], "Release Notes v1.95.1": [[245, "release-notes-v1-95-1"]], "Viewing Molecular Orbitals": [[234, "viewing-molecular-orbitals"]], "Configure": [[234, "configure"]], "What\u2019s New in Avogadro 2": [[236, "whats-new-in-avogadro-2"]], "Interface Changes": [[237, "interface-changes"]], "Input Generators": [[237, "input-generators"], [174, "input-generators"]], "Building Carbon Nanotubes": [[191, "building-carbon-nanotubes"]], "Reducing Crystals to a Primitive Unit Cell": [[187, "reducing-crystals-to-a-primitive-unit-cell"]], "Avogadro: Molecular Editor and Visualization": [[180, "avogadro-molecular-editor-and-visualization"]], "Installing Script Plugins": [[176, "installing-script-plugins"]], "Directories": [[176, "directories"]], "Plugin Packages and Repositories": [[176, "plugin-packages-and-repositories"]], "Adding to the Plugin Directory": [[176, "adding-to-the-plugin-directory"]], "Scaling Crystal Cell Volume": [[188, "scaling-crystal-cell-volume"]], "License": [[179, "license"]], "Creative Commons Attribution-ShareAlike 4.0 International": [[179, "creative-commons-attribution-sharealike-4-0-international"]], "Using Creative Commons Public Licenses": [[179, "using-creative-commons-public-licenses"]], "Creative Commons Attribution-ShareAlike 4.0 International Public License": [[179, "creative-commons-attribution-sharealike-4-0-international-public-license"]], "Section 1 \u2013 Definitions.": [[179, "section-1-definitions"]], "Section 2 \u2013 Scope.": [[179, "section-2-scope"]], "Section 3 \u2013 License Conditions.": [[179, "section-3-license-conditions"]], "Section 4 \u2013 Sui Generis Database Rights.": [[179, "section-4-sui-generis-database-rights"]], "Section 5 \u2013 Disclaimer of Warranties and Limitation of Liability.": [[179, "section-5-disclaimer-of-warranties-and-limitation-of-liability"]], "Section 6 \u2013 Term and Termination.": [[179, "section-6-term-and-termination"]], "Section 7 \u2013 Other Terms and Conditions.": [[179, "section-7-other-terms-and-conditions"]], "Section 8 \u2013 Interpretation.": [[179, "section-8-interpretation"]], "Script Plugins": [[175, "script-plugins"], [162, "script-plugins"]], "Importing Molecules by Name": [[195, "importing-molecules-by-name"]], "Making a Crystal Surface Slab": [[182, "making-a-crystal-surface-slab"]], "Import the appropriate crystal structure.": [[182, "import-the-appropriate-crystal-structure"]], "Building a Peptide": [[190, "building-a-peptide"]], "Perceiving Crystall Symmetry": [[184, "perceiving-crystall-symmetry"]], "Open a Crystal File": [[184, "open-a-crystal-file"]], "Coloring Part of a Molecules": [[198, "coloring-part-of-a-molecules"]], "Hemoglobin": [[198, "hemoglobin"]], "Select by Residue": [[198, "select-by-residue"]], "Select by Element": [[198, "select-by-element"]], "Table of contents": [[181, "table-of-contents"]], "Building with SMILES": [[193, "building-with-smiles"]], "Insert Molecular Fragments": [[197, "insert-molecular-fragments"]], "Building a Polymer Unit Cell": [[183, "building-a-polymer-unit-cell"]], "Building Molecule-Surface Interactions": [[186, "building-molecule-surface-interactions"]], "Start with a generated Crystal Surface": [[186, "start-with-a-generated-crystal-surface"]], "New Window: Create our Molecule": [[186, "new-window-create-our-molecule"]], "Different Display Styles": [[199, "different-display-styles"]], "Locating Display Types": [[199, "locating-display-types"]], "Axes": [[199, "axes"]], "Ball and Stick": [[199, "ball-and-stick"]], "Cartoon": [[199, "cartoon"]], "Dipole": [[199, "dipole"]], "Force": [[199, "force"]], "Hydrogen Bond": [[199, "hydrogen-bond"]], "Label": [[199, "label"]], "Polygon": [[199, "polygon"]], "Ribbon": [[199, "ribbon"]], "Ring": [[199, "ring"]], "Stick": [[199, "stick"]], "Surfaces": [[199, "surfaces"]], "Van der Waals Spheres": [[199, "van-der-waals-spheres"]], "Wireframe": [[199, "wireframe"]], "Building Molecules": [[196, "building-molecules"], [196, null]], "Building Materials": [[185, "building-materials"], [185, null]], "Importing from the Protein Data Bank (PDB)": [[194, "importing-from-the-protein-data-bank-pdb"]], "Importing Directly": [[194, "importing-directly"]], "Reading a Downloaded PDB file": [[194, "reading-a-downloaded-pdb-file"]], "Building DNA or RNA": [[192, "building-dna-or-rna"]], "Building a Supercell": [[189, "building-a-supercell"]], "Creating a Surface": [[189, "creating-a-surface"]], "Script Interfaces": [[177, "script-interfaces"]], "Fixed String Lists (Pop-up menus)": [[177, "fixed-string-lists-pop-up-menus"]], "Integer Values": [[177, "integer-values"]], "Floating-point values": [[177, "floating-point-values"]], "VTK Classes": [[178, "vtk-classes"]], "Class Avogadro::Core::Mutex": [[32, "class-avogadro-core-mutex"]], "Class Avogadro::Core::GaussianSetTools": [[26, "class-avogadro-core-gaussiansettools"]], "Class Avogadro::Core::RingPerceiver": [[36, "class-avogadro-core-ringperceiver"]], "Class Avogadro::Core::VariantMap": [[44, "class-avogadro-core-variantmap"]], "Class Avogadro::Core::SlaterSet": [[38, "class-avogadro-core-slaterset"]], "Class Avogadro::Core::SlaterSetTools": [[39, "class-avogadro-core-slatersettools"]], "Class Avogadro::Core::GaussianSet": [[25, "class-avogadro-core-gaussianset"]], "Class Avogadro::Core::UnitCell": [[42, "class-avogadro-core-unitcell"]], "Class Avogadro::Core::ResidueData": [[35, "class-avogadro-core-residuedata"]], "Class Avogadro::Io::FileFormat": [[49, "class-avogadro-io-fileformat"]], "Class Avogadro::Core::Variant": [[43, "class-avogadro-core-variant"]], "Class Avogadro::Io::CmlFormat": [[47, "class-avogadro-io-cmlformat"]], "Class Avogadro::Io::CjsonFormat": [[46, "class-avogadro-io-cjsonformat"]], "Class Avogadro::Core::MoleculeSerializer": [[31, "class-avogadro-core-moleculeserializer"]], "Class Avogadro::Core::SymbolAtomTyper": [[41, "class-avogadro-core-symbolatomtyper"]], "Class Avogadro::Core::Mesh": [[28, "class-avogadro-core-mesh"]], "Class Avogadro::Core::SpaceGroups": [[40, "class-avogadro-core-spacegroups"]], "Class Avogadro::Core::Molecule": [[29, "class-avogadro-core-molecule"]], "Class Avogadro::Core::internal::ArrayRefContainer": [[45, "class-avogadro-core-internal-arrayrefcontainer"]], "Class Avogadro::Io::DcdFormat": [[48, "class-avogadro-io-dcdformat"]], "Class Avogadro::Core::SharedMutex": [[37, "class-avogadro-core-sharedmutex"]], "Class Avogadro::Core::MoleculeDeserializer": [[30, "class-avogadro-core-moleculedeserializer"]], "Class Avogadro::Core::NameAtomTyper": [[33, "class-avogadro-core-nameatomtyper"]], "Class Avogadro::Core::Graph": [[27, "class-avogadro-core-graph"]], "Class Avogadro::Core::Residue": [[34, "class-avogadro-core-residue"]], "Class Avogadro::Rendering::TextProperties": [[141, "class-avogadro-rendering-textproperties"]], "Class Avogadro::Rendering::VolumeGeometry": [[147, "class-avogadro-rendering-volumegeometry"]], "Class Avogadro::Rendering::TextRenderStrategy": [[142, "class-avogadro-rendering-textrenderstrategy"]], "Class Avogadro::Rendering::LineStripGeometry": [[128, "class-avogadro-rendering-linestripgeometry"]], "Class Avogadro::Rendering::Texture2D": [[143, "class-avogadro-rendering-texture2d"]], "Class Avogadro::Rendering::TextLabel3D": [[139, "class-avogadro-rendering-textlabel3d"]], "Class Avogadro::Rendering::POVRayVisitor": [[131, "class-avogadro-rendering-povrayvisitor"]], "Class Avogadro::Rendering::Scene": [[133, "class-avogadro-rendering-scene"]], "Class Avogadro::Rendering::VRMLVisitor": [[145, "class-avogadro-rendering-vrmlvisitor"]], "Class Avogadro::TypeTraits": [[148, "class-avogadro-typetraits"]], "Class Avogadro::Rendering::ShaderProgram": [[135, "class-avogadro-rendering-shaderprogram"]], "Class Avogadro::Rendering::TextLabelBase": [[140, "class-avogadro-rendering-textlabelbase"]], "Class Avogadro::Rendering::GeometryVisitor": [[126, "class-avogadro-rendering-geometryvisitor"]], "Class Avogadro::Rendering::GroupNode": [[127, "class-avogadro-rendering-groupnode"]], "Class Avogadro::Rendering::Sphere": [[136, "class-avogadro-rendering-sphere"]], "Class Avogadro::Rendering::Primitive": [[132, "class-avogadro-rendering-primitive"]], "Class Avogadro::Rendering::Visitor": [[146, "class-avogadro-rendering-visitor"]], "Class Avogadro::Rendering::TextLabel2D": [[138, "class-avogadro-rendering-textlabel2d"]], "Class Avogadro::Rendering::TransformNode": [[144, "class-avogadro-rendering-transformnode"]], "Class Avogadro::TypeTraits< char >": [[149, "class-avogadro-typetraits-char"]], "Class Avogadro::Rendering::MeshGeometry": [[129, "class-avogadro-rendering-meshgeometry"]], "Class Avogadro::Rendering::SphereGeometry": [[137, "class-avogadro-rendering-spheregeometry"]], "Class Avogadro::Rendering::Node": [[130, "class-avogadro-rendering-node"]], "Class Avogadro::Rendering::Shader": [[134, "class-avogadro-rendering-shader"]], "Class Avogadro::Rendering::GeometryNode": [[125, "class-avogadro-rendering-geometrynode"]], "Class Avogadro::VTK::vtkGLWidget": [[158, "class-avogadro-vtk-vtkglwidget"]], "Avogadro Remote Procedure Call (RPC)": [[167, "avogadro-remote-procedure-call-rpc"]], "RPC Protocol": [[167, "rpc-protocol"]], "Methods": [[167, "methods"]], "Class Avogadro::TypeTraits< unsigned short >": [[156, "class-avogadro-typetraits-unsigned-short"]], "Class Avogadro::TypeTraits< float >": [[151, "class-avogadro-typetraits-float"]], "Class Avogadro::TypeTraits< unsigned char >": [[154, "class-avogadro-typetraits-unsigned-char"]], "Example Plugin Script - Part 1": [[171, "example-plugin-script-part-1"]], "The Main function:": [[171, "the-main-function"]], "Input Arguments": [[171, "input-arguments"]], "getOptions() Function": [[171, "getoptions-function"]], "Class Avogadro::TypeTraits< short >": [[153, "class-avogadro-typetraits-short"]], "Rendering Classes": [[166, "rendering-classes"]], "Command Scripts": [[169, "command-scripts"]], "Specifying UI options with \u2013print-options": [[169, "specifying-ui-options-with-print-options"]], "Returning Data": [[169, "returning-data"]], "Returning Data in a Specific File Format": [[169, "returning-data-in-a-specific-file-format"]], "Appending New Atoms and Bonds": [[169, "appending-new-atoms-and-bonds"]], "Bonding New Atoms": [[169, "bonding-new-atoms"]], "Selected Atoms": [[169, "selected-atoms"]], "Class List": [[160, "class-list"]], "QtGui Classes": [[165, "qtgui-classes"]], "Class Avogadro::TypeTraits< int >": [[152, "class-avogadro-typetraits-int"]], "Core Classes": [[161, "core-classes"]], "Specifying parameters with --print-options": [[174, "specifying-parameters-with-print-options"]], "Handling User Selections: --generate-input": [[174, "handling-user-selections-generate-input"]], "Coordinate Blocks": [[174, "coordinate-blocks"]], "Class vtkAvogadroActor": [[159, "class-vtkavogadroactor"]], "Class Avogadro::TypeTraits< double >": [[150, "class-avogadro-typetraits-double"]], "Develop": [[162, "develop"]], "External Scripting": [[162, "external-scripting"]], "Libraries": [[162, "libraries"]], "Main Classes": [[162, "main-classes"]], "Class Avogadro::TypeTraits< unsigned int >": [[155, "class-avogadro-typetraits-unsigned-int"]], "Energy / Force Fields": [[170, "energy-force-fields"]], "Identify the Script with --metadata": [[170, "identify-the-script-with-metadata"], [168, "identify-the-script-with-metadata"]], "Calculating Energies and Gradients": [[170, "calculating-energies-and-gradients"]], "Unit Cells, Total Charge, and Spin Multiplicity": [[170, "unit-cells-total-charge-and-spin-multiplicity"]], "Lattice Vectors and Fractional Coordinates": [[170, "lattice-vectors-and-fractional-coordinates"]], "MoleQueue Classes": [[164, "molequeue-classes"]], "Charges / Electrostatics": [[168, "charges-electrostatics"]], "Calculating Atomic Partial Charges with --charge": [[168, "calculating-atomic-partial-charges-with-charge"]], "Generating Electrostatic Potentials with --potential": [[168, "generating-electrostatic-potentials-with-potential"]], "Class Avogadro::VTK::VtkPlot": [[157, "class-avogadro-vtk-vtkplot"]], "File Formats": [[173, "file-formats"]], "Identify the Format with --metadata": [[173, "identify-the-format-with-metadata"]], "Reading a format with --read": [[173, "reading-a-format-with-read"]], "Writing a format with --write": [[173, "writing-a-format-with-write"]], "IO Classes": [[163, "io-classes"]], "Example Plugin Script - Part 2": [[172, "example-plugin-script-part-2"]], "Providing Input to Run Command": [[172, "providing-input-to-run-command"]], "runCommand() Function": [[172, "runcommand-function"]], "Operation Function": [[172, "operation-function"]], "Retrieving necessary components": [[172, "retrieving-necessary-components"]], "Support for Selection": [[172, "support-for-selection"]], "Sample Input and Output": [[172, "sample-input-and-output"]], "Class Avogadro::QuantumIO::GamessukOut": [[109, "class-avogadro-quantumio-gamessukout"]], "Class Avogadro::QuantumIO::NWChemLog": [[115, "class-avogadro-quantumio-nwchemlog"]], "Class Avogadro::Rendering::BufferObject": [[118, "class-avogadro-rendering-bufferobject"]], "Class Avogadro::Rendering::AmbientOcclusionSphereGeometry": [[116, "class-avogadro-rendering-ambientocclusionspheregeometry"]], "Class Avogadro::QtOpenGL::ActiveObjects": [[104, "class-avogadro-qtopengl-activeobjects"]], "Class Avogadro::QtOpenGL::QtTextRenderStrategy": [[106, "class-avogadro-qtopengl-qttextrenderstrategy"]], "Class Avogadro::QtGui::ScriptLoader": [[100, "class-avogadro-qtgui-scriptloader"]], "Class Avogadro::Rendering::Cylinder": [[120, "class-avogadro-rendering-cylinder"]], "Class Avogadro::QuantumIO::GaussianCube": [[110, "class-avogadro-quantumio-gaussiancube"]], "Class Avogadro::Rendering::GLRenderer": [[124, "class-avogadro-rendering-glrenderer"]], "Class Avogadro::QtOpenGL::GLWidget": [[105, "class-avogadro-qtopengl-glwidget"]], "Class Avogadro::QtGui::ViewFactory": [[103, "class-avogadro-qtgui-viewfactory"]], "Class Avogadro::Rendering::CylinderGeometry": [[121, "class-avogadro-rendering-cylindergeometry"]], "Class Avogadro::QtGui::ToolPlugin": [[101, "class-avogadro-qtgui-toolplugin"]], "Class Avogadro::Rendering::ArrowGeometry": [[117, "class-avogadro-rendering-arrowgeometry"]], "Class Avogadro::Rendering::Drawable": [[122, "class-avogadro-rendering-drawable"]], "Class Avogadro::Rendering::GLRenderVisitor": [[123, "class-avogadro-rendering-glrendervisitor"]], "Class Avogadro::QuantumIO::NWChemJson": [[114, "class-avogadro-quantumio-nwchemjson"]], "Class Avogadro::QuantumIO::MoldenFile": [[112, "class-avogadro-quantumio-moldenfile"]], "Class Avogadro::QuantumIO::MopacAux": [[113, "class-avogadro-quantumio-mopacaux"]], "Class Avogadro::QuantumIO::GUKBasisSet": [[108, "class-avogadro-quantumio-gukbasisset"]], "Class Avogadro::QuantumIO::GAMESSUSOutput": [[107, "class-avogadro-quantumio-gamessusoutput"]], "Class Avogadro::Rendering::Camera": [[119, "class-avogadro-rendering-camera"]], "Class Avogadro::QuantumIO::GaussianFchk": [[111, "class-avogadro-quantumio-gaussianfchk"]], "Class Avogadro::QtGui::ToolPluginFactory": [[102, "class-avogadro-qtgui-toolpluginfactory"]]}, "indexentries": {"avogadro::core::array (c++ class)": [[8, "_CPPv4I0EN8Avogadro4Core5ArrayE"]], "avogadro::core::array::array (c++ function)": [[8, "_CPPv4I0EN8Avogadro4Core5Array5ArrayE13InputIterator13InputIterator"], [8, 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"docs/building-molecules/building-a-peptide.md", "docs/building-molecules/building-carbon-nanotubes.md", "docs/building-molecules/building-dna-rna.md", "docs/building-molecules/building-with-smiles.md", "docs/building-molecules/importing-from-the-pdb.md", "docs/building-molecules/importing-molecules-by-name.md", "docs/building-molecules/index.md", "docs/building-molecules/insert-fragments.md", "docs/display-types/coloring-part-of-a-molecule.md", "docs/display-types/display-types.md", "docs/display-types/index.md", "docs/getting-started/drawing-molecules.md", "docs/getting-started/index.md", "docs/getting-started/introduction.md", "docs/getting-started/making-selections.md", "docs/getting-started/saving-files.md", "docs/index.md", "docs/menus/build-menu.md", "docs/menus/edit-menu.md", "docs/menus/extensions-menu.md", "docs/menus/file-menu.md", "docs/menus/index.md", "docs/menus/select-menu.md", "docs/menus/view-menu.md", "docs/optimizing-geometry/conformers.md", "docs/optimizing-geometry/constraints.md", "docs/optimizing-geometry/enabling-ff.md", "docs/optimizing-geometry/index.md", "docs/optimizing-geometry/molecular-mechanics.md", "docs/tools/align-tool.md", "docs/tools/auto-optimize-tool.md", "docs/tools/auto-rotate-tool.md", "docs/tools/bond-centric-manipulate-tool.md", "docs/tools/draw-tool.md", "docs/tools/index.md", "docs/tools/manipulate-tool.md", "docs/tools/measure-tool.md", "docs/tools/navigate-tool.md", "docs/tools/selection-tool.md", "docs/tools/template-tool.md", "docs/tutorials/index.md", "docs/tutorials/naming-a-molecule.md", "docs/tutorials/using-qtaim-and-wfn.md", "docs/tutorials/viewing-electrostatic-potential.md", "docs/tutorials/viewing-molecular-orbitals.md", "docs/tutorials/viewing-vibrations.md", "docs/whats-new-in-avogadro-2/index.md", "docs/whats-new-in-avogadro-2/interface-changes.md", "docs/whats-new-in-avogadro-2/major-new-features.md", "index.md", "install/build.md", "install/index.md", "install/versions/index.md", "install/versions/v194.md", "install/versions/v195.md", "install/versions/v1951.md", "install/versions/v196.md", "install/versions/v197.md", "install/versions/v198.md", "install/versions/v1981.md", "install/versions/v199.md", "teach/acid_base.md", "teach/alkene_isomers.md", "teach/articles.md", "teach/basic_vsepr.md", "teach/diaxial_interactions.md", "teach/hcn_dipole.md", "teach/hydrogen_clusters.md", "teach/hydrogen_molecule.md", "teach/index.md", "teach/markovnikovs_rule.md", "teach/organic_hybridization.md", "teach/water.md"], "titles": ["Contributing Code", "Documenting Code", "<no title>", "Coding Conventions (C++)", "Thanks", "Contribute", "Coding Style (C++)", "Translations", "Class Avogadro::Core::Array", "Class Avogadro::Core::ArraySet", "Class Avogadro::Core::ArraySet::Holder", "Class Avogadro::Core::ArraySet::PlaceHolder", "Class Avogadro::Core::Atom", "Class Avogadro::Core::AtomTemplate", "Class Avogadro::Core::AtomTyper", "Class Avogadro::Core::AvoSpglib", "Class Avogadro::Core::BasisSet", "Class Avogadro::Core::Bond", "Class Avogadro::Core::BondTemplate", "Class Avogadro::Core::Color3f", "Class Avogadro::Core::CoordinateBlockGenerator", "Class Avogadro::Core::CoordinateSet", "Class Avogadro::Core::CrystalTools", "Class Avogadro::Core::Cube", "Class Avogadro::Core::Elements", "Class Avogadro::Core::GaussianSet", "Class Avogadro::Core::GaussianSetTools", "Class Avogadro::Core::Graph", "Class Avogadro::Core::Mesh", "Class Avogadro::Core::Molecule", "Class Avogadro::Core::MoleculeDeserializer", "Class Avogadro::Core::MoleculeSerializer", "Class Avogadro::Core::Mutex", "Class Avogadro::Core::NameAtomTyper", "Class Avogadro::Core::Residue", "Class Avogadro::Core::ResidueData", "Class Avogadro::Core::RingPerceiver", "Class Avogadro::Core::SharedMutex", "Class Avogadro::Core::SlaterSet", "Class Avogadro::Core::SlaterSetTools", "Class Avogadro::Core::SpaceGroups", "Class Avogadro::Core::SymbolAtomTyper", "Class Avogadro::Core::UnitCell", "Class Avogadro::Core::Variant", "Class Avogadro::Core::VariantMap", "Class Avogadro::Core::internal::ArrayRefContainer", "Class Avogadro::Io::CjsonFormat", "Class Avogadro::Io::CmlFormat", "Class Avogadro::Io::DcdFormat", "Class Avogadro::Io::FileFormat", "Class Avogadro::Io::FileFormatManager", "Class Avogadro::Io::GromacsFormat", "Class Avogadro::Io::Hdf5DataFormat", "Class Avogadro::Io::LammpsDataFormat", "Class Avogadro::Io::LammpsTrajectoryFormat", "Class Avogadro::Io::MMTFFormat", "Class Avogadro::Io::MdlFormat", "Class Avogadro::Io::OutcarFormat", "Class Avogadro::Io::PdbFormat", "Class Avogadro::Io::PoscarFormat", "Class Avogadro::Io::TrrFormat", "Class Avogadro::Io::XyzFormat", "Class Avogadro::MoleQueue::BatchJob", "Class Avogadro::MoleQueue::InputGenerator", "Class Avogadro::MoleQueue::InputGeneratorDialog", "Class Avogadro::MoleQueue::InputGeneratorWidget", "Class Avogadro::MoleQueue::MoleQueueDialog", "Class Avogadro::MoleQueue::MoleQueueManager", "Class Avogadro::MoleQueue::MoleQueueQueueListModel", "Class Avogadro::MoleQueue::MoleQueueWidget", "Class Avogadro::QtGui::BackgroundFileFormat", "Class Avogadro::QtGui::ContainerWidget", "Class Avogadro::QtGui::CustomElementDialog", "Class Avogadro::QtGui::ElementDetail", "Class Avogadro::QtGui::ElementItem", "Class Avogadro::QtGui::ElementTranslator", "Class Avogadro::QtGui::ExtensionPlugin", "Class Avogadro::QtGui::ExtensionPluginFactory", "Class Avogadro::QtGui::FileBrowseWidget", "Class Avogadro::QtGui::FileFormatDialog", "Class Avogadro::QtGui::GenericHighlighter", "Class Avogadro::QtGui::GenericHighlighter::Rule", "Class Avogadro::QtGui::HydrogenTools", "Class Avogadro::QtGui::InterfaceScript", "Class Avogadro::QtGui::InterfaceWidget", "Class Avogadro::QtGui::MeshGenerator", "Class Avogadro::QtGui::Molecule", "Class Avogadro::QtGui::MoleculeModel", "Class Avogadro::QtGui::MultiViewWidget", "Class Avogadro::QtGui::PeriodicTableScene", "Class Avogadro::QtGui::PeriodicTableView", "Class Avogadro::QtGui::PersistentAtom", "Class Avogadro::QtGui::PersistentBond", "Class Avogadro::QtGui::PythonScript", "Class Avogadro::QtGui::RWAtom", "Class Avogadro::QtGui::RWBond", "Class Avogadro::QtGui::RWMolecule", "Class Avogadro::QtGui::ScenePlugin", "Class Avogadro::QtGui::ScenePluginFactory", "Class Avogadro::QtGui::ScenePluginModel", "Class Avogadro::QtGui::ScriptLoader", "Class Avogadro::QtGui::ToolPlugin", "Class Avogadro::QtGui::ToolPluginFactory", "Class Avogadro::QtGui::ViewFactory", "Class Avogadro::QtOpenGL::ActiveObjects", "Class Avogadro::QtOpenGL::GLWidget", "Class Avogadro::QtOpenGL::QtTextRenderStrategy", "Class Avogadro::QuantumIO::GAMESSUSOutput", "Class Avogadro::QuantumIO::GUKBasisSet", "Class Avogadro::QuantumIO::GamessukOut", "Class Avogadro::QuantumIO::GaussianCube", "Class Avogadro::QuantumIO::GaussianFchk", "Class Avogadro::QuantumIO::MoldenFile", "Class Avogadro::QuantumIO::MopacAux", "Class Avogadro::QuantumIO::NWChemJson", "Class Avogadro::QuantumIO::NWChemLog", "Class Avogadro::Rendering::AmbientOcclusionSphereGeometry", "Class Avogadro::Rendering::ArrowGeometry", "Class Avogadro::Rendering::BufferObject", "Class Avogadro::Rendering::Camera", "Class Avogadro::Rendering::Cylinder", "Class Avogadro::Rendering::CylinderGeometry", "Class Avogadro::Rendering::Drawable", "Class Avogadro::Rendering::GLRenderVisitor", "Class Avogadro::Rendering::GLRenderer", "Class Avogadro::Rendering::GeometryNode", "Class Avogadro::Rendering::GeometryVisitor", "Class Avogadro::Rendering::GroupNode", "Class Avogadro::Rendering::LineStripGeometry", "Class Avogadro::Rendering::MeshGeometry", "Class Avogadro::Rendering::Node", "Class Avogadro::Rendering::POVRayVisitor", "Class Avogadro::Rendering::Primitive", "Class Avogadro::Rendering::Scene", "Class Avogadro::Rendering::Shader", "Class Avogadro::Rendering::ShaderProgram", "Class Avogadro::Rendering::Sphere", "Class Avogadro::Rendering::SphereGeometry", "Class Avogadro::Rendering::TextLabel2D", "Class Avogadro::Rendering::TextLabel3D", "Class Avogadro::Rendering::TextLabelBase", "Class Avogadro::Rendering::TextProperties", "Class Avogadro::Rendering::TextRenderStrategy", "Class Avogadro::Rendering::Texture2D", "Class Avogadro::Rendering::TransformNode", "Class Avogadro::Rendering::VRMLVisitor", "Class Avogadro::Rendering::Visitor", "Class Avogadro::Rendering::VolumeGeometry", "Class Avogadro::TypeTraits", "Class Avogadro::TypeTraits< char >", "Class Avogadro::TypeTraits< double >", "Class Avogadro::TypeTraits< float >", "Class Avogadro::TypeTraits< int >", "Class Avogadro::TypeTraits< short >", "Class Avogadro::TypeTraits< unsigned char >", "Class Avogadro::TypeTraits< unsigned int >", "Class Avogadro::TypeTraits< unsigned short >", "Class Avogadro::VTK::VtkPlot", "Class Avogadro::VTK::vtkGLWidget", "Class vtkAvogadroActor", "Class List", "Core Classes", "Develop", "IO Classes", "MoleQueue 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"Drawing Molecules", "Getting Started", "Introduction", "Making Selections", "Saving Files", "User Guide", "Build Menu", "Edit Menu", "Extension Menu", "File Menu", "Menus", "Select Menu", "View Menu", "Finding Conformers of Molecules", "Geometry Constraints", "Enabling additional force fields", "Optimizing Geometry", "Introduction to Molecular Mechanics", "Align Tool", "Auto-Optimize Tool", "Auto-Rotate Tool", "Bond-Centric Manipulate Tool", "Draw Tool", "Tools", "Manipulate Tool", "Measure Tool", "Navigate Tool", "Selection Tool", "Template Tool", "Tutorials", "Naming a Molecule", "Using QTAIM (Atoms in Molecules) Analysis", "Viewing Electrostatic Potential Maps", "Viewing Molecular Orbitals", "Viewing Vibrations", "What\u2019s New in Avogadro 2", "Interface Changes", "Major New Features", "Install", "Building Source Code", "Install", "Version History", "Release Notes v1.94.0", "Release Notes v1.95.0", "Release Notes v1.95.1", "Release Notes v1.96.0", "Release Notes v1.97.0", 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230, 240, 247, 248], "rule": [0, 63, 80, 83, 160, 165, 174, 252, 254, 259], "class": [0, 3, 6, 174, 238, 244, 248, 250], "descript": [0, 5, 14, 22, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 76, 83, 96, 97, 101, 107, 110, 111, 112, 113, 114, 115, 160, 163, 164, 165, 168, 170, 173, 174, 176, 246], "function": [0, 6, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 159, 162, 175, 176, 201, 209, 218, 223, 224, 238, 248, 250], "us": [1, 3, 6, 8, 9, 12, 15, 16, 17, 19, 20, 21, 22, 23, 24, 25, 26, 28, 29, 34, 38, 39, 40, 42, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 72, 74, 75, 76, 79, 80, 83, 84, 85, 86, 91, 92, 96, 101, 104, 105, 106, 107, 108, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 121, 123, 124, 127, 128, 129, 132, 133, 135, 137, 139, 140, 141, 143, 158, 162, 165, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 181, 182, 183, 184, 186, 187, 191, 192, 194, 195, 199, 201, 203, 204, 205, 206, 207, 209, 211, 212, 214, 216, 218, 219, 220, 222, 223, 226, 227, 229, 230, 231, 236, 237, 238, 239, 240, 243, 244, 246, 247, 248, 250, 251, 254, 256, 257, 258, 259, 260, 261, 262], "gener": [1, 3, 7, 14, 20, 21, 24, 25, 28, 29, 40, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 64, 65, 82, 84, 85, 93, 96, 104, 105, 107, 110, 111, 112, 113, 114, 115, 140, 142, 158, 162, 169, 175, 176, 177, 181, 182, 189, 191, 201, 204, 211, 212, 213, 218, 220, 223, 236, 238, 243, 244, 245, 246, 247, 248, 250, 253], "javadoc": 1, "thei": [1, 3, 5, 7, 14, 52, 63, 65, 83, 85, 116, 137, 174, 176, 177, 179, 186, 190, 218, 220, 229, 240], "go": [1, 6, 76, 82, 101, 192, 194, 198, 215, 216, 220, 225, 240], "next": [1, 63, 83, 140, 170, 177, 183, 198, 214, 233, 236, 238], "all": [1, 4, 5, 6, 8, 9, 13, 22, 23, 24, 25, 27, 28, 29, 42, 49, 50, 52, 63, 66, 69, 79, 82, 83, 90, 93, 96, 100, 104, 105, 122, 125, 127, 128, 129, 130, 133, 144, 146, 160, 162, 163, 166, 169, 172, 174, 176, 179, 182, 184, 194, 198, 199, 201, 204, 207, 211, 215, 218, 222, 223, 225, 228, 229, 232, 234, 236, 237, 239, 240, 244, 245, 254, 257], "should": [1, 3, 6, 9, 21, 23, 28, 29, 40, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 69, 73, 74, 76, 83, 85, 86, 90, 91, 92, 96, 97, 101, 105, 107, 110, 111, 112, 113, 114, 115, 118, 122, 124, 134, 135, 168, 169, 170, 173, 174, 176, 177, 179, 183, 203, 207, 214, 216, 229, 240, 244, 248, 249, 258], "minimum": [1, 23, 29, 42, 50, 63, 83, 85, 177, 179, 214, 248], "brief": [1, 176], "one": [1, 3, 6, 14, 16, 20, 23, 25, 27, 28, 38, 49, 63, 76, 79, 83, 86, 96, 116, 118, 121, 135, 137, 169, 174, 179, 182, 183, 191, 192, 193, 199, 203, 209, 213, 215, 222, 229, 238, 248], "two": [1, 16, 27, 76, 85, 143, 167, 168, 172, 183, 187, 203, 213, 215, 219, 231, 243, 244, 246, 247, 248, 253, 256, 260, 262], "sentenc": 1, "explain": 1, "what": [1, 29, 44, 86, 96, 181, 198, 209, 213, 227], "intend": [1, 24, 52, 173, 179, 259], "purpos": [1, 3, 6, 52, 66, 116, 127, 137, 168, 179, 209], "i": [1, 3, 4, 5, 6, 8, 12, 13, 14, 15, 16, 17, 18, 19, 22, 23, 24, 25, 26, 27, 28, 29, 33, 34, 38, 39, 40, 41, 42, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 72, 73, 74, 76, 79, 82, 83, 85, 86, 89, 90, 91, 92, 93, 94, 95, 96, 97, 101, 103, 104, 105, 107, 108, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 122, 124, 125, 127, 128, 129, 130, 133, 134, 135, 137, 139, 143, 146, 158, 159, 160, 161, 162, 165, 167, 168, 169, 170, 171, 172, 173, 174, 176, 177, 179, 180, 182, 183, 184, 186, 187, 188, 189, 192, 193, 194, 198, 199, 201, 203, 204, 206, 207, 208, 209, 210, 212, 213, 214, 215, 216, 218, 219, 220, 222, 223, 225, 226, 227, 228, 229, 231, 233, 234, 236, 237, 238, 239, 240, 244, 245, 246, 247, 248, 249, 250, 253, 254, 257, 258, 259, 260, 262], "goe": [1, 6, 63, 83, 174, 240], "here": [1, 63, 82, 83, 167, 171, 172, 177, 179, 182, 183, 184, 186, 187, 188, 189, 191, 192, 209, 215, 232, 259, 260], "void": [1, 6, 8, 9, 13, 14, 16, 18, 19, 20, 21, 23, 25, 26, 27, 28, 29, 32, 34, 36, 37, 38, 40, 42, 43, 44, 45, 49, 52, 58, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 76, 78, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 96, 97, 99, 101, 104, 105, 106, 108, 109, 111, 113, 115, 116, 117, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 145, 146, 158, 159], "dosometh": [1, 6], "overview": [1, 6], "add": [1, 7, 23, 25, 27, 28, 29, 34, 38, 49, 50, 63, 80, 81, 82, 83, 86, 96, 97, 101, 105, 116, 117, 121, 125, 127, 128, 129, 137, 158, 160, 162, 165, 176, 177, 183, 188, 189, 209, 211, 213, 215, 218, 229, 238, 240, 243, 244, 245, 246, 247, 248, 249, 250, 251, 255, 262], "path": [1, 49, 52, 63, 64, 65, 73, 74, 76, 78, 79, 83, 84, 93, 100, 167, 169, 171, 174, 176, 177, 217, 238, 240, 244, 246, 247, 248], "user": [1, 4, 5, 24, 29, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 64, 65, 66, 69, 76, 79, 84, 85, 96, 97, 101, 105, 107, 110, 111, 112, 113, 114, 115, 163, 168, 169, 170, 171, 172, 173, 176, 177, 205, 213, 239, 240, 244, 245, 246, 247, 248, 249, 250], "appropri": [1, 6, 12, 17, 52, 63, 75, 83, 169, 171, 174, 177, 203, 240, 246], "point": [1, 6, 23, 42, 44, 64, 65, 72, 79, 84, 85, 105, 116, 119, 121, 122, 125, 129, 133, 135, 137, 138, 139, 141, 168, 171, 186, 207, 213, 219, 229, 232, 240, 247, 248, 250, 251], "out": [1, 9, 16, 29, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 74, 83, 93, 107, 110, 111, 112, 113, 114, 115, 119, 125, 127, 177, 179, 183, 184, 203, 206, 215, 218, 221, 227, 237, 238, 248, 249, 259], "altern": [1, 170], "similar": [1, 20, 96, 174, 179, 199, 203, 229], "ideal": [1, 15], "give": [1, 5, 8, 9, 21, 24, 40, 49, 119, 172, 179, 213, 248, 262], "some": [1, 5, 24, 29, 63, 65, 83, 86, 96, 116, 137, 162, 167, 168, 172, 174, 176, 177, 182, 184, 187, 199, 205, 237, 245, 247, 248, 250, 257, 259, 260], "simpl": [1, 24, 32, 33, 37, 40, 41, 51, 63, 83, 177, 189, 199, 207, 240, 254], "exampl": [1, 5, 20, 118, 135, 162, 168, 169, 170, 173, 174, 179, 183, 184, 189, 199, 208, 209, 212, 213, 216, 217, 222, 226, 229, 233, 238, 240, 243, 247, 252, 254], "demonstr": [1, 199, 212], "core": [1, 3, 4, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 70, 83, 85, 86, 96, 107, 110, 111, 112, 113, 114, 115, 116, 117, 118, 122, 124, 125, 128, 129, 135, 137, 140, 143, 158, 160, 162, 174, 236, 246], "simplest": 1, "wai": [1, 86, 96, 179, 183, 189, 198, 204, 207, 209, 216, 228, 238, 239], "possibl": [1, 6, 22, 23, 50, 85, 172, 179, 205, 206, 240, 248, 253], "molequeu": [1, 3, 83, 160, 167, 174, 240, 243], "jsonrpcclient": 1, "h": [1, 3, 6, 20, 25, 50, 62, 64, 65, 66, 67, 68, 69, 72, 75, 77, 79, 83, 84, 90, 93, 99, 106, 108, 116, 117, 119, 121, 123, 126, 128, 142, 160, 161, 162, 168, 174, 179, 184, 186, 211, 218, 243, 247, 250, 251, 253, 258, 260, 262], "client": [1, 67, 160, 164, 179], "The": [1, 4, 6, 12, 13, 14, 15, 16, 17, 18, 19, 20, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 37, 38, 39, 40, 41, 42, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 88, 90, 91, 92, 93, 96, 97, 98, 100, 101, 102, 103, 104, 105, 106, 107, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 133, 135, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 159, 162, 163, 165, 168, 169, 170, 172, 173, 174, 176, 177, 179, 182, 183, 186, 188, 190, 191, 192, 197, 198, 199, 201, 203, 204, 206, 207, 208, 209, 210, 212, 213, 215, 216, 218, 219, 220, 221, 222, 223, 225, 226, 227, 228, 229, 231, 233, 237, 238, 240, 251, 253], "submit": [1, 5, 62, 64, 65, 66, 69, 160, 164, 176, 183, 186], "call": [1, 8, 13, 14, 18, 19, 26, 28, 49, 52, 63, 64, 68, 69, 70, 73, 74, 76, 83, 85, 89, 90, 93, 96, 101, 105, 124, 128, 129, 135, 162, 163, 169, 170, 171, 172, 173, 174, 177, 206, 238, 240, 243, 246, 248, 260], "an": [1, 3, 5, 6, 12, 14, 15, 18, 19, 20, 23, 24, 25, 27, 28, 29, 32, 34, 37, 38, 40, 43, 44, 49, 50, 52, 62, 63, 65, 66, 68, 69, 70, 78, 79, 80, 83, 84, 85, 86, 89, 90, 91, 92, 93, 96, 104, 105, 106, 108, 116, 137, 138, 142, 158, 159, 162, 163, 168, 169, 170, 172, 173, 174, 176, 177, 179, 183, 184, 186, 189, 190, 191, 194, 198, 199, 201, 203, 204, 209, 212, 213, 214, 215, 217, 219, 220, 221, 222, 223, 227, 228, 229, 233, 234, 235, 238, 239, 240, 246, 247, 248, 250, 253, 258, 259, 260, 262], "rpc": [1, 66, 69, 162, 243], "server": [1, 5, 62, 66, 67, 69, 93, 167, 231], "json": [1, 46, 63, 66, 76, 83, 84, 101, 114, 162, 167, 168, 169, 170, 171, 172, 173, 174, 176, 177, 205, 243, 248], "2": [1, 6, 16, 18, 20, 29, 63, 66, 83, 85, 133, 143, 160, 161, 167, 170, 174, 177, 181, 183, 186, 191, 194, 201, 205, 211, 214, 223, 226, 237, 238, 239, 240, 243, 246, 247, 249, 250, 251, 252, 258, 259, 260, 261], "0": [1, 6, 9, 11, 14, 15, 16, 19, 20, 22, 24, 27, 29, 40, 42, 44, 49, 63, 66, 73, 74, 76, 83, 96, 97, 101, 102, 103, 106, 119, 133, 135, 139, 141, 142, 143, 160, 161, 167, 168, 170, 172, 174, 176, 177, 180, 183, 186, 194, 201, 205, 206, 220, 223, 236, 238, 241, 242, 245, 251, 257, 258, 262], "author": [1, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 48, 49, 50, 52, 54, 56, 58, 59, 60, 61, 63, 71, 75, 76, 77, 83, 85, 87, 88, 90, 98, 99, 101, 102, 103, 105, 114, 116, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159, 169, 174, 176, 179, 253], "marcu": [1, 2, 4, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 49, 50, 56, 71, 76, 77, 85, 87, 88, 90, 98, 99, 103, 105, 114, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159], "d": [1, 2, 4, 8, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 49, 50, 56, 63, 71, 76, 77, 83, 85, 87, 88, 90, 93, 98, 99, 103, 105, 108, 114, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159, 160, 161, 179, 244, 246, 247], "hanwel": [1, 2, 4, 16, 19, 23, 25, 26, 28, 32, 37, 38, 39, 47, 49, 50, 56, 71, 76, 77, 85, 87, 88, 90, 98, 99, 103, 105, 114, 118, 119, 121, 122, 123, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 144, 146, 147, 159], "provid": [1, 14, 15, 19, 22, 23, 25, 26, 28, 29, 32, 37, 39, 42, 44, 52, 62, 63, 64, 65, 66, 67, 68, 69, 70, 75, 80, 83, 84, 86, 91, 92, 103, 104, 105, 119, 122, 124, 127, 130, 140, 146, 162, 168, 170, 171, 174, 176, 179, 187, 198, 199, 201, 204, 206, 207, 208, 209, 210, 213, 220, 223, 228, 233, 235, 238, 248], "To": [1, 12, 17, 52, 64, 66, 75, 169, 172, 179, 182, 203, 211, 216, 221, 222, 240], "creat": [1, 13, 18, 20, 22, 27, 29, 34, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 67, 79, 83, 84, 86, 91, 92, 96, 103, 105, 107, 108, 110, 111, 112, 113, 114, 115, 118, 131, 134, 135, 145, 170, 171, 174, 176, 177, 179, 183, 185, 188, 190, 199, 207, 208, 210, 211, 213, 217, 224, 232, 233, 234, 238, 240, 244, 246, 248, 251, 255, 256, 257, 258, 262], "connect": [1, 27, 62, 67, 69, 85, 96, 128, 167, 172, 179, 204, 228, 231, 232, 247, 250], "method": [1, 6, 13, 18, 22, 24, 29, 43, 49, 52, 63, 64, 66, 68, 76, 79, 83, 85, 86, 91, 92, 96, 101, 103, 105, 118, 119, 135, 159, 168, 170, 174, 217, 218, 238, 243, 246, 248, 250, 253], "follow": [1, 6, 20, 63, 83, 93, 143, 168, 169, 170, 171, 172, 173, 174, 177, 179, 186, 189, 215, 216, 240], "done": [1, 14, 25, 38, 40, 66, 118, 124, 134, 160, 164, 170, 172, 220, 234], "new": [1, 3, 5, 6, 7, 8, 13, 18, 27, 28, 29, 34, 40, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 67, 69, 76, 80, 82, 83, 90, 93, 96, 101, 103, 106, 107, 110, 111, 112, 113, 114, 115, 128, 129, 142, 159, 160, 167, 170, 172, 173, 175, 178, 181, 182, 190, 191, 197, 201, 203, 205, 206, 207, 211, 212, 216, 219, 220, 223, 224, 234, 237, 243, 244, 246, 247, 248, 250, 251], "connecttoserv": 1, "myrpcserv": 1, "qjsonobject": [1, 62, 63, 83], "emptyrequest": 1, "qlatin1str": 1, "listqueu": 1, "sendrequest": 1, "endcod": 1, "signal": [1, 3, 62, 67, 68, 69, 70, 71, 76, 78, 83, 85, 86, 87, 88, 89, 90, 93, 96, 97, 99, 101, 104, 105, 158], "order": [1, 8, 14, 18, 22, 29, 63, 76, 80, 83, 86, 90, 93, 96, 104, 106, 124, 134, 135, 143, 160, 161, 168, 169, 172, 174, 177, 199, 201, 205, 216, 223, 226, 229, 232, 240, 244, 248, 250, 257], "act": [1, 96, 172, 240], "result": [1, 6, 13, 14, 19, 22, 26, 39, 63, 66, 69, 83, 84, 106, 125, 135, 142, 162, 169, 172, 173, 177, 179, 182, 183, 184, 232, 240, 258, 260, 261, 262], "notif": 1, "error": [1, 13, 49, 50, 52, 62, 64, 66, 69, 70, 79, 93, 105, 118, 124, 134, 135, 143, 160, 163, 164, 165, 166, 179, 246, 247, 248, 250, 258], "receiv": [1, 62, 83, 179], "respons": [1, 4, 62, 88, 96, 124, 171, 172, 248], "set": [1, 13, 15, 16, 18, 19, 22, 23, 25, 26, 27, 28, 29, 34, 38, 39, 40, 42, 43, 44, 49, 52, 62, 63, 64, 65, 66, 69, 70, 74, 76, 79, 80, 81, 83, 85, 91, 92, 93, 96, 97, 101, 104, 105, 108, 117, 119, 122, 124, 127, 128, 129, 130, 133, 134, 135, 137, 141, 147, 158, 159, 160, 161, 162, 165, 167, 168, 169, 171, 174, 179, 182, 183, 184, 187, 188, 191, 198, 199, 209, 211, 217, 218, 220, 240, 243, 245, 246, 248, 250, 251], "public": [1, 3, 6, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 159, 244], "qobject": [1, 62, 63, 67, 68, 70, 75, 76, 80, 83, 85, 86, 87, 89, 93, 96, 97, 99, 100, 101, 102, 104], "end": [1, 3, 6, 8, 29, 44, 82, 96, 116, 117, 121, 122, 125, 131, 137, 145, 160, 161, 166, 183, 186, 198, 221, 222], "complet": [1, 28, 52, 62, 66, 69, 85, 118, 128, 164, 168, 169, 176, 186], "constructor": [1, 8, 16, 19, 25, 28, 29, 38, 63, 68, 73, 74, 83, 85, 86, 89, 90, 93], "more": [1, 3, 6, 25, 28, 38, 49, 63, 76, 83, 86, 96, 104, 105, 106, 116, 121, 124, 127, 135, 137, 162, 169, 173, 174, 175, 176, 179, 191, 198, 199, 204, 209, 212, 213, 215, 216, 218, 220, 228, 229, 233, 238, 239, 243, 244, 247, 248, 260], "construct": [1, 19, 20, 62, 65, 80, 84, 90, 96, 203, 207], "describ": [1, 14, 16, 63, 69, 83, 118, 168, 170, 173, 174, 179], "paramet": [1, 8, 14, 15, 16, 19, 22, 23, 25, 26, 28, 29, 33, 38, 39, 41, 42, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 64, 65, 66, 68, 69, 75, 76, 78, 79, 82, 84, 85, 86, 90, 91, 92, 93, 96, 101, 103, 106, 107, 110, 111, 112, 113, 114, 115, 116, 117, 119, 121, 122, 125, 127, 128, 129, 130, 135, 137, 140, 142, 143, 169, 170, 189, 205, 209, 215, 218, 220, 234, 247, 257], "input": [1, 9, 14, 22, 24, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 64, 65, 84, 85, 93, 96, 101, 105, 107, 110, 111, 112, 113, 114, 115, 131, 145, 158, 162, 163, 168, 169, 170, 173, 175, 176, 177, 181, 183, 193, 209, 238, 243, 244, 245, 247, 248], "job": [1, 62, 63, 64, 65, 66, 69, 83, 174], "param": [1, 167], "filenam": [1, 49, 50, 52, 63, 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174, 175, 176, 177, 179, 182, 186, 188, 201, 203, 213, 214, 216, 219, 220, 222, 223, 226, 229, 231, 238, 239, 240, 241, 243, 244, 246, 247, 248, 250, 254, 257, 262], "denot": [3, 122, 130], "_p": 3, "camel": [3, 6], "case": [3, 6, 16, 25, 38, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 66, 68, 69, 73, 74, 83, 85, 107, 110, 111, 112, 113, 114, 115, 167, 170, 172, 174, 179, 198, 201, 212, 222, 223, 246, 247, 248, 250, 260], "qtgui": [3, 29, 63, 64, 65, 104, 105, 158, 160, 162], "instead": [3, 40, 76, 168, 169, 170, 229, 247, 250], "being": [3, 6, 16, 25, 28, 49, 85, 91, 92, 105, 121, 125, 158, 159, 199, 220, 222, 227, 240, 250, 259], "wrong": [3, 6, 244], "qdialog": [3, 64, 66, 72], "correct": [3, 6, 50, 63, 83, 124, 127, 174, 191, 240, 248, 250, 257], "open": [3, 4, 5, 6, 49, 52, 66, 69, 76, 79, 160, 162, 163, 164, 167, 170, 182, 183, 185, 186, 187, 188, 194, 199, 205, 206, 209, 211, 213, 231, 234, 235, 238, 239, 240, 243, 245, 246, 247, 248, 249, 250, 251], "chemistri": [3, 4, 5, 6, 206, 232, 234, 235, 239, 240, 243], "nest": [3, 191], "everyth": [3, 208, 212, 219], "insid": [3, 6, 176, 240], "mongochem": [3, 248], "contain": [3, 6, 8, 9, 13, 16, 18, 19, 21, 22, 23, 25, 27, 28, 29, 34, 38, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 66, 68, 69, 71, 76, 79, 83, 87, 88, 91, 92, 93, 96, 99, 105, 107, 110, 111, 112, 113, 114, 115, 116, 118, 121, 125, 127, 131, 133, 135, 137, 143, 145, 147, 159, 160, 161, 168, 169, 170, 172, 173, 174, 176, 214, 216, 240, 247], "most": [3, 16, 62, 63, 73, 74, 76, 79, 83, 101, 126, 127, 165, 169, 174, 179, 203, 206, 207, 209, 213, 218, 220, 232, 233, 238, 240], "overspecifi": 3, "e": [3, 6, 20, 27, 28, 29, 34, 38, 44, 49, 63, 65, 75, 76, 83, 85, 86, 89, 90, 93, 96, 101, 133, 135, 139, 143, 167, 168, 169, 170, 173, 174, 176, 177, 179, 182, 186, 191, 193, 194, 201, 205, 214, 223, 229, 231, 235, 236, 237, 238, 240, 243, 244, 247, 248, 250], "doesn": [3, 194, 198, 220], "slot": [3, 62, 63, 64, 66, 67, 69, 70, 72, 76, 78, 83, 86, 87, 88, 89, 90, 93, 96, 99, 101, 104, 105, 158], "moc": 3, "often": [3, 184, 218], "littl": 3, "help": [3, 4, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 107, 110, 111, 112, 113, 114, 115, 162, 168, 170, 173, 206, 207, 218, 233, 237, 238, 239, 244, 246, 247, 250, 259], "onli": [3, 6, 16, 22, 24, 29, 44, 52, 63, 66, 69, 82, 83, 86, 96, 105, 118, 122, 125, 134, 168, 169, 170, 172, 173, 174, 179, 191, 198, 199, 203, 209, 212, 216, 218, 220, 222, 232, 238, 240, 245, 246, 247, 248, 259, 262], "specif": [3, 12, 17, 20, 29, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 83, 101, 107, 110, 111, 112, 113, 114, 115, 160, 161, 172, 173, 174, 183, 198, 209, 212, 215, 218, 219, 220, 221, 224, 233, 243, 248], "symbol": [3, 20, 24, 40, 41, 73, 74, 160, 161, 174, 201, 223, 246, 248, 250], "avoid": [3, 6, 23, 85, 179, 240, 247, 248, 250, 260], "static_cast": 3, "dynamic_cast": [3, 130], "const_cast": 3, "reinterpret_cast": [3, 6], "For": [3, 5, 6, 16, 20, 24, 52, 62, 96, 135, 162, 168, 170, 171, 172, 173, 174, 177, 179, 183, 189, 192, 199, 206, 208, 209, 212, 213, 215, 216, 220, 222, 225, 226, 229, 240, 254, 259, 261], "deriv": [3, 16, 21, 22, 26, 39, 49, 86, 101, 105, 127, 159, 179, 232, 254, 255, 259], "qobject_cast": 3, "enum": [3, 16, 20, 22, 23, 25, 34, 38, 40, 43, 49, 52, 62, 66, 68, 78, 79, 82, 86, 96, 97, 108, 118, 127, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156], "": [3, 13, 14, 18, 20, 22, 25, 27, 29, 38, 42, 43, 44, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 66, 76, 80, 81, 82, 83, 85, 86, 96, 105, 107, 108, 110, 111, 112, 113, 114, 115, 119, 122, 130, 143, 158, 160, 161, 163, 167, 169, 170, 171, 173, 174, 179, 181, 184, 191, 201, 207, 209, 213, 215, 216, 219, 220, 221, 222, 223, 227, 232, 233, 238, 240, 243, 248, 252, 259], "constant": [3, 24, 85, 209], "static": [3, 15, 22, 24, 29, 40, 42, 49, 50, 62, 66, 67, 69, 72, 75, 78, 79, 82, 85, 100, 104, 117, 128, 129, 148, 149, 150, 151, 152, 153, 154, 155, 156, 159, 218], "int": [3, 6, 13, 16, 18, 19, 22, 23, 25, 26, 28, 29, 34, 35, 38, 39, 42, 43, 45, 49, 52, 62, 63, 66, 68, 69, 73, 74, 75, 76, 80, 82, 83, 85, 86, 87, 89, 90, 93, 96, 99, 105, 106, 108, 119, 124, 128, 129, 135, 141, 142, 143, 159, 160, 161, 172], "verbos": 3, "argument": [3, 29, 44, 63, 66, 83, 86, 168, 169, 170, 172, 173, 174, 240], "id": [3, 27, 28, 29, 34, 50, 62, 66, 69, 86, 91, 92, 96, 116, 120, 132, 136, 137, 167, 240, 244], "show": [3, 29, 66, 79, 90, 182, 186, 188, 191, 192, 203, 209, 222, 231, 232, 238, 247, 250], "autocomplet": 3, "It": [3, 15, 16, 19, 22, 25, 28, 29, 38, 44, 50, 63, 82, 83, 86, 96, 122, 169, 171, 172, 174, 195, 203, 206, 210, 216, 236, 238, 239, 240], "look": [3, 6, 50, 119, 171, 172, 176, 184, 203, 213, 238, 240], "better": [3, 5, 206, 214, 220, 238, 239, 248], "poor": 3, "peopl": [3, 206], "guess": [3, 24], "abbrevi": [3, 6], "ambigu": [3, 250], "can": [3, 8, 14, 21, 22, 24, 26, 28, 29, 39, 49, 50, 52, 62, 63, 65, 66, 67, 68, 69, 76, 79, 82, 83, 85, 86, 91, 92, 96, 101, 104, 116, 122, 131, 133, 134, 135, 137, 145, 158, 159, 162, 167, 168, 169, 170, 171, 173, 174, 175, 176, 177, 179, 183, 184, 186, 187, 188, 189, 190, 191, 192, 194, 195, 197, 198, 199, 201, 203, 204, 206, 207, 208, 209, 212, 213, 215, 216, 218, 219, 220, 221, 222, 223, 227, 228, 229, 232, 233, 234, 238, 239, 240, 241, 243, 244, 246, 247], "afford": 3, "few": [3, 176, 191, 195, 236, 238, 248, 250], "extra": [3, 63, 83, 169, 174, 183], "byte": [3, 52, 106, 142], "like": [4, 16, 25, 38, 62, 66, 79, 163, 167, 170, 171, 172, 173, 191, 213, 214, 237, 238, 239, 240, 244, 245, 246, 247, 248, 259], "mani": [4, 25, 38, 162, 168, 206, 209, 222, 225, 229, 236, 237, 238, 243, 244, 245, 246, 247, 248, 249, 250], "fundament": 4, "commun": [4, 5, 67, 167, 179, 259], "aim": [4, 232], "develop": [4, 5, 206, 232, 236, 237, 238, 239, 243, 244, 246, 247, 253], "alik": [4, 180], "hope": 4, "build": [4, 22, 30, 31, 96, 99, 157, 169, 171, 181, 182, 197, 211, 218, 229, 231, 236, 238, 239, 241, 243, 244, 246, 247, 248, 249, 251, 252, 254, 260, 261], "top": [4, 76, 106, 119, 121, 124, 139, 142, 199, 225, 240, 246], "framework": [4, 238, 247, 248, 250], "so": [4, 19, 22, 25, 38, 42, 52, 63, 83, 85, 96, 135, 143, 158, 159, 162, 167, 172, 174, 176, 179, 184, 191, 197, 198, 199, 209, 220, 237, 240, 258, 260, 262], "veri": [4, 5, 23, 32, 37, 162, 184, 203, 244, 246, 247], "grate": 4, "start": [4, 5, 6, 25, 27, 93, 117, 121, 181, 182, 183, 190, 191, 207, 217, 220, 221, 224, 230, 235, 239, 244, 248], "donald": 4, "curti": 4, "effort": [4, 82, 206], "kitwar": [4, 240], "inc": 4, "shahzad": 4, "ali": 4, "kristof": 4, "bal": 4, "banck": 4, "edward": 4, "bett": 4, "ross": 4, "braithwait": 4, "jame": 4, "bunt": 4, "taylor": [4, 206], "cornel": [4, 206], "raphael": 4, "kubo": 4, "costa": 4, "reini": 4, "dann": 4, "zackari": 4, "fall": [4, 6, 243, 244, 246], "naomi": 4, "fox": 4, "raimonda": 4, "galv": 4, "dagmar": 4, "lenk": 4, "gari": 4, "kedziora": 4, "thoma": [4, 243], "margraf": 4, "jordan": 4, "mantha": 4, "carsten": 4, "niehau": 4, "katsuhiko": 4, "nishimra": 4, "simon": 4, "ochsenreith": 4, "schwab": 4, "sergei": 4, "smirnov": 4, "casper": 4, "steinmann": 4, "jen": 4, "jonathan": 4, "tinkham": 4, "toneian": 4, "jure": 4, "varlec": 4, "egon": 4, "willighagen": 4, "support": [4, 5, 13, 25, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 75, 79, 83, 96, 103, 107, 110, 111, 112, 113, 114, 115, 116, 118, 124, 135, 143, 162, 167, 168, 169, 170, 171, 173, 174, 176, 203, 205, 231, 232, 238, 239, 240, 243, 244, 246, 247, 248, 250], "its": [4, 9, 15, 27, 40, 50, 52, 73, 74, 82, 96, 127, 162, 171, 172, 179, 198, 207, 227, 258, 259, 260, 262], "ha": [4, 5, 14, 15, 16, 22, 25, 27, 29, 38, 42, 52, 65, 67, 69, 76, 86, 96, 97, 101, 124, 133, 135, 172, 179, 186, 188, 189, 192, 194, 198, 199, 201, 203, 207, 209, 210, 218, 220, 222, 223, 233, 235, 238, 240, 243, 248, 260], "come": [4, 194, 199, 216, 218, 222, 239], "would": [4, 76, 101, 127, 135, 191, 203, 205, 206, 236, 238, 239, 240, 249, 250, 259], "particularli": [4, 218, 236, 244, 246, 247, 249], "googl": [4, 244, 246, 247], "summer": [4, 206, 243, 244, 246, 247], "code": [4, 5, 7, 25, 38, 63, 83, 85, 89, 162, 168, 170, 171, 172, 174, 184, 191, 192, 194, 209, 234, 235, 238, 239, 241, 243, 244, 246, 247, 248, 250], "2007": 4, "2008": 4, "2011": 4, "2016": 4, "2018": 4, "2019": [4, 246], "2021": [4, 243, 244, 245], "2022": [4, 206, 246, 247], "univers": [4, 206, 218, 220, 253], "pittsburgh": [4, 206], "u": [4, 5, 8, 9, 21, 105, 127, 186, 191, 239, 243, 244, 246, 247], "depart": [4, 206], "defens": 4, "dod": 4, "through": [4, 5, 6, 7, 14, 65, 69, 76, 96, 101, 162, 165, 170, 172, 175, 176, 179, 182, 183, 187, 188, 189, 192, 193, 198, 199, 201, 203, 209, 210, 212, 216, 220, 223, 229, 232, 238, 240, 243, 248, 250], "pettt": 4, "program": [4, 66, 67, 68, 69, 135, 160, 164, 167, 168, 169, 174, 183, 189, 210, 216, 236, 237, 246], "research": [4, 191, 239, 253, 259], "corpor": [4, 179], "cottrel": 4, "scholar": 4, "award": 4, "backer": 4, "collect": [4, 22, 62, 63, 65, 66, 83, 105, 116, 121, 122, 125, 133, 137, 162, 172, 174, 179], "igor": 4, "filippov": 4, "qinghui": 4, "ge": 4, "colton": 4, "hick": 4, "serkan": 4, "holat": 4, "sponsor": [4, 179], "harshavardhan": 4, "kamarthi": 4, "triplebyt": 4, "reli": 4, "number": [4, 6, 13, 15, 16, 18, 20, 22, 23, 24, 25, 26, 27, 28, 29, 34, 38, 39, 40, 52, 62, 63, 64, 73, 74, 75, 80, 82, 83, 85, 86, 96, 116, 121, 127, 129, 135, 137, 143, 167, 168, 170, 172, 174, 176, 177, 186, 192, 199, 201, 203, 207, 209, 214, 215, 220, 223, 229, 240, 250, 257], "infrastructur": 4, "blue": [4, 19, 24, 141, 143, 160, 161, 166, 198, 199, 219, 222, 233, 238, 250], "obelisk": [4, 24], "group": [4, 6, 8, 13, 18, 20, 29, 40, 42, 62, 63, 64, 65, 66, 67, 69, 70, 79, 83, 86, 93, 96, 101, 105, 106, 117, 122, 123, 124, 127, 128, 129, 135, 137, 138, 139, 140, 141, 143, 158, 174, 184, 186, 187, 188, 189, 191, 201, 205, 207, 212, 223, 224, 232, 238, 246, 248, 250, 253, 255, 257], "pybind11": 4, "chemic": [4, 24, 29, 34, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 83, 107, 110, 111, 112, 113, 114, 115, 162, 173, 174, 195, 203, 205, 208, 210, 212, 216, 231, 238], "structur": [4, 22, 23, 24, 25, 27, 29, 38, 76, 171, 172, 184, 190, 191, 195, 197, 199, 201, 208, 213, 218, 220, 223, 238, 243, 244, 246, 257], "databas": [4, 5, 24, 175, 190, 197, 210, 231], "cmake": [4, 240, 248, 250], "eigen": [4, 6, 29, 38, 108, 119, 135, 240, 250], "softwar": [4, 209, 232], "babel": [4, 163, 170, 203, 205, 238, 243, 246, 247, 250], "And": [4, 168], "cours": [4, 190, 253], "johann": 4, "loschmidt": 4, "amedeo": 4, "made": [5, 7, 8, 24, 27, 76, 82, 101, 179, 180, 197, 198, 199, 203, 204, 210, 212, 213, 218, 228, 243], "who": 5, "want": [5, 8, 169, 186, 190, 191, 198, 201, 203, 214, 215, 223, 225, 232, 233, 239], "back": [5, 8, 84, 160, 161, 207, 213, 243, 244, 246], "great": [5, 239, 240], "place": [5, 6, 40, 50, 73, 74, 172, 174, 179, 184, 199, 208, 209, 213, 220, 225, 227, 239, 240, 255], "fellow": 5, "forum": [5, 7, 250], "question": [5, 239], "level": [5, 63, 76, 83, 174, 240, 253], "post": [5, 215], "mai": [5, 19, 29, 40, 52, 63, 65, 68, 76, 83, 96, 97, 101, 105, 106, 118, 127, 135, 168, 169, 172, 174, 176, 177, 179, 182, 184, 186, 190, 191, 192, 195, 206, 214, 216, 220, 229, 231, 232, 234, 236, 237, 240, 254, 259, 262], "find": [5, 15, 23, 30, 31, 42, 52, 79, 85, 96, 100, 157, 171, 172, 181, 203, 216, 217, 234, 238, 239, 247, 256, 259], "experi": [5, 253], "valuabl": 5, "bug": [5, 7, 194, 239, 242], "pleas": [5, 7, 239, 243, 244, 246, 247, 259], "take": [5, 23, 29, 50, 63, 70, 73, 74, 76, 83, 88, 105, 123, 124, 138, 172, 182, 195, 199, 209, 213, 216, 220, 225, 227, 234], "moment": [5, 191, 234], "tracker": [5, 239], "issu": [5, 7, 239, 243, 248], "while": [5, 6, 27, 63, 83, 85, 96, 101, 169, 170, 174, 183, 188, 215, 220, 229, 231, 247, 250], "move": [5, 29, 105, 139, 143, 179, 186, 194, 197, 203, 220, 225, 237, 238, 248, 251], "around": [5, 6, 16, 23, 32, 37, 64, 66, 70, 186, 188, 191, 197, 199, 203, 215, 225, 238, 254, 259], "fit": [5, 6, 29, 52, 105, 124, 158, 179, 229], "particular": [5, 24, 52, 63, 76, 83, 167, 168, 170, 174, 179, 190, 205, 206, 229], "compon": [5, 19, 23, 24, 27, 29, 128, 129, 133, 141, 143, 162], "itself": 5, "section": [5, 22, 63, 68, 83, 96, 174, 176, 199, 204, 206, 207, 209, 215, 220, 225, 238, 259], "discuss": [5, 7, 169, 209, 239, 243, 244, 246, 247, 259], "idea": [5, 239, 259], "plan": 5, "direct": [5, 19, 42, 63, 83, 116, 119, 120, 121, 122, 125, 129, 137, 143, 160, 166, 174, 179, 194, 221, 240, 246, 251], "progress": [5, 28, 85, 210, 237], "etc": [5, 6, 18, 25, 29, 38, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 83, 101, 104, 105, 107, 110, 111, 112, 113, 114, 115, 116, 121, 134, 135, 137, 143, 158, 162, 169, 170, 171, 174, 177, 199, 203, 205, 209, 229, 231, 232, 235, 237, 238, 239, 240, 243, 248, 254], "both": [5, 16, 27, 52, 64, 65, 162, 168, 170, 173, 174, 176, 177, 188, 216, 239, 262], "python": [5, 93, 100, 162, 169, 172, 175, 176, 217, 237, 239, 240, 242, 244, 246, 247, 248, 249, 250], "script": [5, 64, 65, 76, 84, 93, 100, 101, 163, 173, 216, 237, 239, 243, 244, 245, 247, 248], "util": [5, 65, 93, 100, 119, 176, 189, 199, 209], "tell": [5, 101, 167], "friend": [5, 28, 42, 68, 80, 96, 116, 117, 121, 122, 128, 129, 130, 137, 140], "cite": 5, "paper": [5, 22, 193, 239, 251], "write": [5, 6, 8, 16, 37, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 79, 83, 93, 104, 107, 110, 111, 112, 113, 114, 115, 160, 163, 165, 170, 171, 174, 205, 246, 247, 248, 250], "edit": [5, 15, 65, 96, 162, 181, 189, 198, 199, 201, 203, 209, 211, 212, 213, 223, 225, 235, 236, 238, 240, 246, 247, 248], "tutori": [5, 181, 182, 199, 209, 238, 239, 253], "site": [5, 229, 238, 239], "up": [5, 25, 27, 28, 38, 50, 52, 85, 99, 105, 119, 143, 158, 162, 167, 171, 182, 186, 189, 190, 191, 194, 195, 197, 198, 203, 209, 210, 212, 213, 214, 226, 229, 231, 233, 236, 238, 247, 248, 250], "lesson": [5, 186, 253, 259], "activ": [5, 25, 71, 76, 87, 88, 89, 90, 97, 101, 104, 105, 216, 238, 240, 250, 253], "teacher": [5, 253], "send": [5, 62, 67, 93, 162, 167, 174, 243], "fragment": [5, 134, 135, 160, 166, 181, 193, 196, 204, 207, 225, 228, 229, 238, 243, 248, 250], "report": [5, 7, 63, 83, 174, 184, 239, 244, 245, 246, 247], "encount": [5, 7, 49, 52, 105], "about": [5, 20, 24, 40, 63, 83, 119, 174, 198, 209, 213, 215, 227, 239, 246, 247], "improv": [5, 7, 236, 238, 242, 245], "translat": [5, 23, 42, 68, 75, 119, 160, 163, 166, 168, 170, 173, 177, 179, 183, 184, 186, 190, 191, 203, 206, 219, 225, 239, 242, 243], "languag": [5, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 83, 107, 110, 111, 112, 113, 114, 115, 168, 169, 170, 171, 174, 205, 212, 239, 247], "donat": 5, "pai": [5, 206, 262], "host": [5, 246, 247, 248, 249, 250], "meet": 5, "bounti": 5, "when": [6, 8, 9, 14, 16, 19, 21, 25, 29, 38, 50, 52, 62, 63, 64, 65, 66, 67, 69, 70, 76, 79, 83, 89, 90, 93, 96, 101, 105, 124, 128, 129, 158, 169, 170, 171, 172, 174, 176, 188, 189, 198, 199, 203, 204, 205, 207, 209, 213, 214, 216, 225, 234, 237, 240, 244, 247, 248, 249, 251, 253, 254], "base": [6, 8, 9, 14, 16, 20, 29, 34, 49, 63, 76, 77, 79, 80, 83, 86, 98, 101, 102, 117, 121, 122, 123, 125, 126, 130, 131, 145, 146, 162, 170, 172, 174, 176, 177, 179, 191, 192, 207, 209, 212, 238, 247, 248, 250, 254, 259], "larg": [6, 8, 52, 182, 186, 187, 190, 191, 203, 238, 240], "kde": 6, "format": [6, 20, 34, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 76, 79, 80, 81, 83, 107, 110, 111, 112, 113, 114, 115, 141, 143, 162, 163, 167, 168, 170, 171, 172, 174, 175, 176, 179, 180, 194, 209, 232, 234, 237, 238, 243, 244, 245, 246, 247, 248], "enforc": [6, 179], "clang": [6, 247], "tool": [6, 26, 39, 76, 101, 102, 105, 160, 165, 181, 183, 186, 190, 191, 197, 199, 201, 203, 204, 206, 215, 236, 237, 239, 243, 245, 246, 248, 250, 254, 258, 261, 262], "space": [6, 20, 22, 23, 26, 28, 29, 39, 40, 52, 96, 147, 160, 161, 170, 174, 182, 184, 186, 187, 188, 189, 205, 213, 246, 248, 250, 257], "tab": [6, 213, 229, 244, 247, 250], "keep": [6, 27, 52, 66, 68, 96, 104, 106, 215, 240], "less": [6, 13, 18, 24, 29, 96, 209, 229, 233, 238, 260], "than": [6, 8, 13, 18, 24, 27, 29, 52, 63, 83, 96, 167, 179, 187, 238, 244, 257, 260], "80": 6, "charact": [6, 20, 49, 63, 83, 169, 174, 250], "wide": [6, 206, 209, 238], "each": [6, 14, 20, 25, 27, 28, 33, 38, 41, 49, 52, 62, 63, 64, 83, 96, 135, 143, 162, 170, 171, 174, 176, 177, 214, 240, 261, 262], "separ": [6, 143, 169, 174, 179, 205, 232], "g": [6, 20, 25, 29, 34, 49, 63, 75, 76, 83, 89, 90, 93, 101, 135, 139, 141, 143, 160, 161, 167, 168, 169, 170, 173, 174, 176, 177, 179, 182, 191, 193, 194, 201, 205, 214, 223, 229, 231, 235, 237, 238, 240, 243, 248, 250], "nmbr": 6, "singl": [6, 18, 29, 52, 63, 65, 67, 71, 83, 85, 96, 117, 143, 174, 191, 192, 198, 204, 228, 247, 253], "fine": [6, 63, 83, 174], "counter": [6, 63, 83, 93], "temporari": [6, 170], "obviou": 6, "wait": [6, 65, 68, 93], "until": [6, 8, 65, 66, 207, 220, 257], "unus": [6, 16, 25, 38], "ones": 6, "incorrect": [6, 244, 247, 248, 250], "f": [6, 25, 38, 71, 88, 108, 122, 135, 137, 139, 158, 160, 161, 170, 179, 218, 244], "lower": [6, 27, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 107, 110, 111, 112, 113, 114, 115, 143, 213], "letter": [6, 24, 192, 246], "word": 6, "acronym": 6, "cmlformat": [6, 49, 160, 163], "doubl": [6, 15, 18, 24, 25, 26, 29, 38, 39, 40, 43, 52, 90, 96, 108, 117, 158, 159, 160, 161, 191, 192, 201, 204, 223, 227, 228, 247, 260], "cntr": 6, "std": [6, 8, 9, 10, 11, 13, 16, 20, 21, 23, 24, 25, 27, 28, 29, 33, 34, 35, 36, 38, 40, 41, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 82, 86, 96, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 121, 122, 124, 125, 127, 131, 134, 135, 137, 140, 142, 143, 145], "string": [6, 7, 13, 16, 20, 23, 24, 25, 28, 29, 33, 34, 35, 40, 41, 43, 44, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 66, 68, 69, 70, 76, 79, 80, 81, 83, 96, 101, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 118, 124, 131, 134, 135, 140, 142, 143, 145, 160, 161, 163, 167, 169, 172, 174, 193], "rawxml": 6, "char": [6, 13, 18, 24, 25, 29, 34, 40, 43, 86, 96, 101, 106, 128, 129, 135, 140, 141, 142, 143, 148, 150, 151, 152, 153, 155, 156, 160, 161, 250], "list_delimit": 6, "center": [6, 29, 116, 119, 126, 133, 137, 160, 166, 186, 190, 191, 192, 198, 199, 211, 229, 238, 244, 248], "listdelimit": 6, "upper": [6, 138], "m_": 6, "blank": [6, 177, 213], "togeth": [6, 96, 127, 176], "after": [6, 29, 49, 52, 63, 64, 66, 69, 83, 90, 118, 169, 170, 177, 182, 186, 187, 188, 189, 191, 195, 197, 198, 201, 207, 209, 210, 215, 223, 225, 229, 233, 235, 243], "curli": 6, "blah": [6, 63, 83, 177], "explod": 6, "5": [6, 15, 40, 42, 63, 83, 96, 160, 161, 177, 186, 240, 247, 248, 251, 254, 261, 262], "pointer": [6, 8, 24, 28, 43, 45, 66, 79, 122, 125, 127, 130, 160, 161], "refer": [6, 8, 13, 18, 43, 45, 64, 66, 67, 68, 79, 80, 86, 91, 92, 104, 105, 116, 118, 119, 121, 125, 127, 135, 137, 143, 158, 160, 161, 171, 179, 215, 219, 220, 245, 250], "between": [6, 15, 23, 24, 27, 29, 42, 43, 44, 85, 86, 96, 167, 172, 173, 182, 183, 199, 209, 215, 220, 226, 229, 248, 250, 257, 259, 262], "x": [6, 20, 22, 23, 28, 29, 124, 170, 173, 174, 183, 199, 207, 209, 213, 219, 221, 238, 240, 248, 260], "mystr": 6, "y": [6, 20, 23, 29, 119, 124, 170, 174, 199, 207, 209, 213, 219, 221, 240], "whoah": 6, "surround": [6, 233], "binari": [6, 240, 247], "oper": [6, 8, 13, 14, 18, 21, 22, 28, 29, 34, 35, 42, 43, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 70, 72, 79, 80, 85, 86, 96, 107, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 121, 122, 128, 129, 132, 135, 137, 140, 141, 143, 160, 161, 163, 165, 166, 169, 171, 173, 183], "No": [6, 22, 27, 168, 179, 247], "memoryblock": 6, "malloc": 6, "data": [6, 8, 9, 16, 19, 21, 23, 24, 25, 26, 27, 28, 29, 34, 38, 39, 40, 43, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 68, 76, 83, 85, 86, 87, 93, 96, 99, 101, 106, 107, 108, 110, 111, 112, 113, 114, 115, 118, 133, 135, 142, 143, 147, 158, 160, 161, 164, 165, 167, 168, 172, 173, 181, 196, 208, 211, 212, 232, 237, 238, 243, 257, 258, 260], "size": [6, 8, 19, 21, 27, 28, 44, 52, 85, 116, 118, 121, 135, 137, 143, 160, 161, 166, 182, 183, 199, 213, 243, 248, 257], "left": [6, 52, 63, 83, 106, 119, 138, 142, 143, 174, 201, 203, 204, 207, 213, 219, 220, 222, 223, 228, 240, 249], "normal": [6, 8, 25, 28, 29, 38, 63, 76, 83, 85, 90, 116, 120, 121, 122, 125, 129, 135, 137, 160, 161, 165, 166, 174, 188, 203], "same": [6, 13, 18, 22, 27, 52, 62, 64, 128, 129, 168, 179, 198, 213, 218, 240, 251, 262], "foo": 6, "run": [6, 14, 28, 62, 65, 68, 69, 83, 84, 85, 104, 160, 161, 165, 168, 169, 170, 171, 173, 176, 203, 211, 216, 235, 238, 245, 247, 256], "implement": [6, 12, 14, 17, 22, 33, 41, 46, 47, 48, 52, 54, 55, 56, 59, 60, 61, 63, 76, 83, 85, 90, 93, 96, 106, 114, 118, 123, 135, 140, 142, 143, 162, 167, 173, 246, 247], "myfun": 6, "cout": 6, "suppli": [6, 23, 24, 25, 29, 38, 49, 50, 63, 64, 76, 79, 83, 85, 96, 97, 108, 119, 122, 125, 134, 135, 137, 158, 168, 169, 170, 179, 250], "endl": 6, "bar": [6, 209, 213, 225, 227, 234, 250], "bodi": 6, "condit": [6, 22, 191], "also": [6, 27, 28, 40, 49, 63, 73, 74, 83, 96, 105, 116, 133, 137, 162, 168, 170, 172, 174, 175, 176, 179, 182, 186, 188, 190, 191, 192, 194, 201, 203, 204, 206, 207, 208, 209, 210, 212, 213, 216, 218, 220, 221, 223, 226, 227, 228, 232, 238, 239, 240, 247, 249, 259], "complex": [6, 127, 201, 223, 229, 238, 248], "42": 6, "var": [6, 171], "parent": [6, 45, 62, 66, 68, 70, 71, 72, 76, 79, 82, 85, 87, 88, 89, 96, 97, 99, 101, 102, 105, 122, 127, 130, 144, 160, 161, 164, 165, 166], "doe": [6, 8, 13, 15, 22, 29, 40, 52, 86, 93, 96, 105, 119, 135, 159, 168, 169, 170, 179, 187, 209, 218, 225, 237, 257], "wrap": [6, 42, 96, 143, 159, 160, 166], "isvalid": [6, 13, 16, 18, 25, 26, 38, 39, 63, 83, 86, 91, 92, 105, 124, 132, 160, 161, 164, 165, 166], "agooddai": 6, "ani": [6, 8, 13, 14, 18, 23, 27, 29, 43, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 69, 76, 79, 80, 81, 83, 93, 96, 101, 105, 107, 110, 111, 112, 113, 114, 115, 118, 119, 125, 135, 167, 168, 169, 170, 172, 173, 174, 176, 177, 179, 195, 203, 207, 210, 213, 222, 229, 236, 240, 248], "els": 6, "block": [6, 20, 63, 83, 169, 177], "element": [6, 8, 20, 21, 25, 27, 28, 29, 33, 41, 72, 73, 74, 75, 89, 90, 96, 123, 129, 131, 133, 135, 143, 145, 160, 161, 165, 168, 170, 171, 172, 174, 177, 179, 182, 189, 201, 207, 211, 218, 223, 229, 238, 244, 247, 250, 254], "cover": [6, 169, 206, 231], "empti": [6, 8, 20, 25, 27, 29, 34, 40, 43, 44, 49, 50, 52, 76, 78, 79, 80, 96, 118, 124, 134, 135, 160, 161, 169, 188, 243, 250], "express": [6, 63, 83, 174, 179, 260], "intent": 6, "clearer": 6, "label": [6, 13, 20, 29, 63, 83, 96, 108, 139, 160, 161, 169, 171, 174, 177, 179, 200, 215, 238, 243, 244, 246, 248, 250], "column": [6, 22, 42, 68, 87, 99, 250], "everi": [6, 27, 29, 179, 231], "must": [6, 16, 25, 26, 29, 38, 52, 63, 66, 76, 79, 83, 85, 96, 106, 118, 120, 128, 129, 134, 135, 142, 143, 168, 169, 170, 172, 173, 174, 176, 179, 207, 216, 240], "indic": [6, 20, 23, 27, 28, 29, 63, 64, 66, 68, 69, 76, 79, 82, 83, 86, 96, 104, 105, 116, 129, 135, 137, 168, 169, 170, 172, 173, 174, 176, 177, 179, 182, 186, 213, 215, 222, 229, 245, 250], "omiss": 6, "anoth": [6, 40, 52, 170, 184, 189, 199, 201, 204, 223, 228, 238, 262], "immedi": [6, 176], "myenum": 6, "drawlin": [6, 117, 160, 166], "vertex": [6, 27, 28, 85, 117, 128, 129, 134, 135, 160, 161, 166, 226], "drawdot": 6, "default": [6, 16, 20, 24, 25, 26, 28, 29, 34, 38, 49, 52, 63, 65, 76, 79, 83, 96, 97, 105, 119, 128, 129, 133, 134, 139, 143, 169, 171, 174, 177, 192, 199, 201, 203, 205, 213, 214, 220, 223, 234, 238, 248, 250], "drawdefault": 6, "shorter": 6, "insert": [6, 8, 29, 63, 83, 160, 161, 169, 177, 181, 182, 186, 190, 191, 192, 193, 196, 211, 224, 225, 238, 243, 244, 246, 248, 250, 251], "comma": [6, 168, 170], "broken": 6, "begin": [6, 8, 44, 85, 96, 106, 131, 142, 145, 160, 161, 166, 201, 204, 222, 223, 233, 235], "verylongexpress": 6, "anotherevenlongerexpress": 6, "justwhenyouthoughtitcouldntgetlong": 6, "vector3d": [6, 108], "posit": [6, 8, 13, 15, 22, 23, 26, 29, 39, 82, 85, 96, 116, 119, 120, 126, 133, 135, 136, 137, 139, 160, 161, 166, 186, 190, 191, 207, 213, 225, 238, 255, 260, 262], "currentposit": 6, "offset": [6, 85, 135, 160, 165], "reimplement": [6, 65, 105], "put": [6, 238, 248], "discourag": 6, "prefix": [6, 13, 18, 63, 79, 83, 173, 176, 177, 240], "clear": [6, 8, 14, 27, 28, 29, 43, 44, 49, 63, 83, 85, 87, 90, 99, 105, 116, 117, 121, 122, 126, 127, 128, 129, 133, 137, 140, 158, 160, 161, 163, 165, 166, 183, 204, 211, 228, 243], "cpp": [6, 85], "extens": [6, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 77, 79, 83, 107, 110, 111, 112, 113, 114, 115, 162, 167, 168, 169, 170, 173, 174, 181, 183, 199, 201, 211, 212, 215, 216, 220, 223, 232, 233, 238, 239, 243, 246, 247, 248], "As": [6, 7, 167, 169, 190, 199, 211, 219, 226, 229, 231, 240, 243, 246], "feel": [6, 239], "free": [6, 52, 105, 169, 174, 179, 201, 206, 223, 239, 240], "bad": 6, "local": [7, 63, 75, 83, 85, 169, 174, 176, 177, 239, 243, 246, 248, 250], "avail": [7, 26, 29, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 67, 68, 69, 76, 83, 85, 101, 105, 107, 110, 111, 112, 113, 114, 115, 134, 159, 168, 169, 170, 171, 173, 174, 177, 179, 180, 238, 239, 247], "autom": [7, 50, 176, 238, 246, 247, 249, 250], "task": [7, 218, 238], "phrase": 7, "whenev": 7, "allow": [7, 8, 28, 32, 37, 43, 63, 79, 83, 162, 163, 168, 170, 173, 174, 179, 182, 183, 186, 188, 189, 190, 191, 193, 194, 199, 201, 203, 204, 207, 209, 210, 212, 213, 215, 220, 221, 222, 223, 225, 226, 227, 228, 229, 232, 234, 235, 237, 238, 243, 247, 248, 250], "time": [7, 52, 63, 83, 93, 96, 105, 118, 127, 162, 179, 182, 187, 191, 248, 253], "freez": [7, 29], "least": [7, 76, 96, 214, 226, 233, 238, 247], "week": 7, "advanc": [7, 63, 83, 174, 239, 240], "releas": [7, 52, 118, 135, 143, 160, 166, 176, 206, 236, 240, 241, 242], "typenam": [8, 9, 10, 14, 21, 43, 45, 91, 92, 130, 148], "copi": [8, 13, 18, 23, 28, 29, 43, 50, 79, 86, 106, 142, 186, 193, 211, 216, 229, 243, 246, 248, 250], "semant": 8, "effect": [8, 119, 179, 216, 251, 257], "share": [8, 13, 18, 27, 37, 176, 179, 180, 238, 240], "without": [8, 27, 50, 52, 66, 69, 162, 179, 203, 206, 209, 210, 236, 240, 244, 250], "expos": 8, "access": [8, 19, 52, 65, 67, 68, 84, 104, 118, 135, 143, 170, 179, 194, 199, 210, 247, 253], "amount": [8, 186, 209], "non": [8, 9, 24, 29, 63, 83, 96, 127, 170, 172, 174, 179, 243, 244, 247, 248, 250], "trigger": [8, 105, 172], "detach": [8, 135, 160, 161, 211, 246], "op": 8, "count": [8, 13, 29], "1": [8, 13, 16, 18, 19, 20, 22, 23, 25, 27, 29, 52, 63, 66, 69, 83, 86, 96, 106, 119, 133, 135, 142, 143, 160, 161, 168, 170, 172, 174, 176, 177, 183, 184, 186, 188, 191, 192, 194, 201, 206, 211, 214, 223, 226, 236, 238, 240, 241, 242, 243, 248, 251, 252, 258, 259, 260, 261, 262], "perform": [8, 14, 16, 22, 43, 52, 64, 85, 96, 105, 135, 169, 171, 172, 179, 183, 189, 203, 209, 214, 238, 240, 242, 251, 262], "deep": [8, 233, 240], "greater": 8, "unnam": [8, 13, 18, 20, 29, 42, 62, 64, 65, 66, 67, 69, 70, 79, 86, 93, 96, 101, 105, 106, 117, 122, 123, 124, 128, 129, 135, 138, 139, 140, 141, 143, 158], "typedef": [8, 12, 13, 14, 17, 18, 22, 29, 34, 44, 45, 49, 62, 79, 86, 91, 92, 96, 141, 249], "value_typ": [8, 45, 118, 135, 143, 160, 161], "compat": [8, 79, 179, 209], "allocator_typ": [8, 45, 160, 161], "const_refer": [8, 45, 160, 161], "const_point": [8, 45, 160, 161], "iter": [8, 14, 44, 45, 160, 161], "const_iter": [8, 44, 45, 160, 161], "reverse_iter": [8, 45, 160, 161], "const_reverse_iter": [8, 45, 160, 161], "difference_typ": [8, 45, 160, 161], "size_typ": [8, 45, 143, 160, 161], "intern": [8, 14, 40, 52, 62, 64, 66, 67, 79, 90, 140, 143, 160, 161, 168, 170, 173, 239], "arrayrefcontain": [8, 160, 161], "valuetyp": [8, 9, 10, 11, 14, 45, 160, 161], "inlin": [8, 9, 10, 11, 12, 16, 17, 19, 20, 21, 23, 25, 26, 28, 29, 34, 35, 38, 42, 43, 44, 45, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 65, 69, 70, 71, 76, 78, 80, 81, 83, 84, 85, 86, 87, 88, 90, 91, 92, 93, 94, 95, 96, 97, 98, 101, 105, 106, 107, 108, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 140, 141, 143, 145, 146, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 159], "explicit": [8, 14, 26, 27, 33, 36, 39, 41, 42, 45, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 76, 78, 80, 83, 84, 85, 87, 88, 89, 90, 91, 92, 93, 96, 97, 99, 100, 101, 105, 123, 127, 128, 129, 134, 144], "size_t": [8, 13, 27, 29, 36, 44, 45, 52, 82, 96, 116, 117, 121, 125, 127, 128, 129, 135, 137, 141], "n": [8, 16, 20, 25, 27, 28, 38, 45, 127, 129, 174, 190, 191, 218], "valu": [8, 9, 10, 16, 19, 20, 22, 23, 25, 26, 28, 29, 34, 38, 39, 43, 44, 45, 49, 50, 52, 62, 66, 68, 78, 79, 82, 85, 86, 87, 93, 97, 99, 105, 118, 119, 122, 127, 129, 130, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156, 158, 160, 161, 168, 170, 171, 173, 174, 176, 209, 251], "inputiter": [8, 45], "last": [8, 23, 45, 63, 69, 83, 93, 208, 244], "note": [8, 25, 29, 63, 83, 119, 129, 135, 143, 167, 170, 174, 176, 177, 184, 186, 187, 188, 191, 199, 203, 206, 240, 242, 251, 255, 256, 262], "detachwithcopi": [8, 160, 161], "explicitli": [8, 167], "implicitli": 8, "ensur": [8, 22, 29, 63, 67, 83, 86, 96, 124, 133, 174, 209, 240, 243, 248, 250], "retriev": [8, 16, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 68, 83, 107, 110, 111, 112, 113, 114, 115], "underli": [8, 19, 65, 84, 91, 92], "constdata": [8, 160, 161], "max_siz": [8, 160, 161], "capac": [8, 160, 161], "reserv": [8, 14, 28, 160, 161, 179], "sz": 8, "resiz": [8, 21, 52, 90, 105, 124, 160, 161, 166], "rbegin": [8, 160, 161], "rend": [8, 160, 161], "front": [8, 160, 161], "assign": [8, 27, 28, 29, 33, 41, 86, 96, 160, 161, 168, 238, 246, 247, 250], "val": 8, "push_back": [8, 160, 161], "v": [8, 40, 42, 43, 44, 128, 129, 135, 177, 179, 194, 240, 248, 252, 260], "pop_back": [8, 160, 161], "eras": [8, 160, 161], "idx": [8, 68, 80], "othert": 8, "swap": [8, 27, 42, 80, 116, 117, 121, 122, 128, 129, 137, 140, 141, 160, 161, 165, 166, 249], "swapandpop": [8, 160, 161], "index": [8, 12, 13, 14, 17, 18, 20, 21, 23, 25, 27, 29, 34, 38, 63, 68, 80, 83, 86, 87, 91, 92, 94, 95, 96, 99, 116, 118, 121, 125, 127, 128, 129, 132, 134, 135, 137, 143, 160, 161, 164, 165, 166, 172, 174, 177, 191, 248], "delet": [8, 50, 52, 70, 96, 105, 125, 127, 134, 158, 169, 183, 201, 207, 213, 223, 244, 246, 248, 255], "valid": [8, 16, 25, 26, 28, 38, 39, 49, 63, 69, 83, 86, 91, 92, 96, 105, 124, 129, 130, 134, 160, 161, 173, 174, 177, 240, 248, 249, 250], "pop": [8, 171, 189, 195, 197, 198, 209, 210, 212, 213, 233], "preserv": [8, 22, 27, 52, 96, 188], "protect": [8, 9, 14, 16, 19, 23, 29, 33, 34, 41, 49, 68, 80, 85, 89, 90, 93, 96, 97, 105, 122, 125, 127, 130, 134, 135, 140, 159, 179], "attribut": [8, 9, 14, 16, 19, 23, 29, 34, 62, 63, 69, 83, 85, 93, 96, 97, 117, 118, 122, 125, 127, 128, 129, 130, 134, 135, 140, 159, 174, 176, 180], "arrai": [9, 14, 19, 21, 22, 23, 27, 28, 29, 40, 52, 63, 83, 85, 86, 96, 116, 117, 118, 122, 124, 125, 128, 129, 135, 137, 140, 143, 160, 161, 168, 170, 173, 174, 177], "store": [9, 19, 21, 24, 25, 26, 29, 38, 39, 40, 43, 52, 63, 64, 65, 80, 81, 83, 96, 116, 117, 118, 119, 122, 128, 137, 143, 205, 210, 248], "figur": [9, 74, 215, 257], "subclass": [9, 11, 16, 29, 46, 49, 67, 122, 127, 128, 129, 130, 132, 140, 142, 146], "coordinateset": [9, 160, 161], "istyp": [9, 160, 161], "match": [9, 24, 29, 40, 50, 63, 66, 68, 69, 79, 80, 81, 83, 118, 169, 174, 234, 240], "placehold": [9, 10, 64, 160, 161], "m_content": [9, 10, 160, 161], "m_data": [9, 19, 23, 29, 160, 161], "holder": [9, 11, 160, 161, 179], "type_info": [9, 10, 11], "clone": [9, 10, 11, 16, 25, 38, 160, 161], "atomtempl": [12, 94, 160, 161], "repres": [12, 13, 17, 18, 19, 22, 24, 27, 29, 34, 40, 43, 50, 64, 65, 67, 68, 84, 96, 122, 132, 162, 172, 199, 236, 238], "moleculeclass": [12, 17], "atomtyp": [12, 18, 29, 33, 41, 86, 91, 96, 160, 161, 165], "molecule_t": [13, 18, 91, 92], "setatomicnumb": [13, 29, 96, 160, 161, 165], "unsign": [13, 15, 16, 18, 22, 23, 24, 25, 28, 29, 38, 40, 43, 45, 62, 66, 69, 85, 86, 96, 101, 106, 108, 128, 129, 135, 140, 141, 142, 143, 160, 161], "num": [13, 25, 29, 96, 172], "proton": [13, 73, 233, 251, 259], "atom": [13, 14, 16, 18, 20, 22, 24, 25, 29, 33, 34, 38, 40, 41, 63, 75, 82, 83, 86, 91, 96, 97, 108, 132, 139, 160, 161, 162, 165, 166, 170, 171, 172, 174, 181, 182, 183, 184, 186, 189, 198, 200, 201, 204, 205, 207, 211, 212, 213, 214, 215, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 230, 231, 233, 235, 236, 238, 243, 244, 246, 247, 248, 250, 254, 260, 262], "atomicnumb": [13, 24, 29, 86, 96, 160, 161, 165], "setposition2d": [13, 160, 161], "vector2": [13, 29, 96], "po": [13, 23, 29, 85, 96, 120, 136], "2d": [13, 29, 213, 243], "Not": 13, "current": [13, 14, 18, 27, 28, 29, 49, 52, 56, 62, 64, 65, 66, 69, 75, 76, 85, 88, 90, 96, 101, 104, 106, 116, 117, 119, 121, 122, 123, 124, 128, 129, 130, 133, 134, 135, 137, 140, 142, 167, 169, 186, 199, 210, 212, 213, 214, 225, 237, 238, 239, 254], "moleculetyp": [13, 18, 91, 92, 160, 161, 165], "compil": [13, 134, 135, 160, 166, 240], "position2d": [13, 160, 161], "setposition3d": [13, 160, 161], "vector3": [13, 22, 23, 26, 29, 39, 40, 42, 82, 86, 96], "3d": [13, 23, 29, 96, 105, 119, 128, 129, 135, 162, 170, 172, 193, 203, 213, 238, 247, 259], "position3d": [13, 29, 86, 96, 160, 161], "sethybrid": [13, 29, 96, 160, 161, 165], "atomhybrid": [13, 29, 96], "hyb": [13, 29, 96], "hybrid": [13, 29, 96, 160, 161, 165, 254, 259], "coordin": [13, 20, 21, 22, 25, 29, 40, 42, 63, 83, 96, 108, 117, 119, 124, 135, 138, 139, 143, 160, 161, 163, 183, 184, 187, 188, 207, 229, 243, 244, 248, 253], "setformalcharg": [13, 29, 96, 160, 161, 165], "sign": [13, 29, 96, 135, 240, 246], "charg": [13, 29, 63, 83, 96, 174, 175, 176, 205, 209, 218, 229, 233, 238, 244, 246, 247, 248, 250, 251, 262], "formal": [13, 29, 96, 205, 229, 246, 248], "formalcharg": [13, 29, 96, 160, 161, 165], "setcolor": [13, 28, 29, 34, 96, 128, 129, 132, 160, 161, 165, 166], "vector3ub": [13, 29, 34, 96, 116, 120, 121, 128, 129, 131, 132, 135, 136, 137, 141, 145], "color": [13, 19, 24, 28, 29, 34, 63, 83, 96, 116, 121, 128, 129, 132, 133, 137, 141, 143, 158, 160, 161, 165, 166, 174, 175, 177, 181, 186, 199, 205, 209, 211, 233, 238, 243, 244, 246, 247, 248, 250], "setlay": [13, 29, 96, 160, 161, 165], "layer": [13, 29, 86, 96, 160, 161, 165, 244, 245, 246, 247, 248], "invalid": [13, 18, 29, 40, 49, 69, 86, 91, 92, 96, 132, 160, 166, 244], "object": [13, 14, 18, 19, 25, 28, 29, 43, 44, 50, 52, 62, 63, 64, 65, 68, 69, 73, 76, 79, 83, 84, 85, 86, 91, 92, 96, 101, 104, 105, 106, 108, 116, 117, 118, 119, 121, 122, 124, 125, 128, 129, 132, 135, 137, 142, 146, 159, 165, 168, 169, 170, 173, 174, 198, 215, 243], "increment": [13, 18], "self": [13, 18, 247], "check": [13, 16, 18, 22, 26, 28, 29, 39, 40, 49, 63, 69, 76, 83, 86, 93, 96, 105, 124, 127, 171, 172, 176, 177, 201, 213, 215, 220, 222, 223, 227, 243, 247, 248, 250, 256, 257, 262], "postfix": [13, 18], "decrement": [13, 18], "setselect": [13, 160, 161], "select": [13, 29, 66, 69, 79, 86, 90, 96, 160, 161, 165, 177, 181, 182, 183, 186, 189, 190, 191, 192, 193, 194, 195, 197, 199, 201, 202, 203, 205, 207, 210, 211, 213, 215, 216, 218, 219, 221, 222, 223, 224, 225, 226, 229, 231, 233, 234, 235, 243, 244, 245, 246, 247, 248, 250, 251], "setforcevector": [13, 29, 96, 160, 161, 165], "forc": [13, 29, 86, 96, 140, 162, 175, 176, 191, 200, 211, 215, 217, 218, 229, 235, 240, 248, 250, 256, 258, 259, 260, 262], "forcevector": [13, 29, 96, 160, 161, 165], "setlabel": [13, 160, 161], "outputtyp": 14, "interfac": [14, 15, 24, 40, 62, 63, 65, 76, 83, 84, 85, 93, 97, 101, 142, 162, 169, 171, 172, 174, 181, 203, 206, 209, 216, 220, 247, 248], "list": [14, 22, 29, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 67, 68, 69, 76, 78, 79, 80, 103, 105, 107, 110, 111, 112, 113, 114, 115, 125, 127, 168, 169, 170, 171, 172, 174, 176, 179, 209, 210, 229, 240, 243, 247, 259], "identifi": [14, 16, 24, 29, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 69, 83, 86, 91, 92, 102, 107, 110, 111, 112, 113, 114, 115, 116, 120, 121, 122, 124, 125, 132, 135, 136, 137, 143, 160, 163, 165, 166, 174], "mol": [14, 15, 20, 22, 23, 26, 33, 34, 39, 40, 41, 57, 59, 62, 63, 64, 65, 70, 72, 76, 83, 96, 101, 168, 169, 170, 172, 209, 255, 260], "nullptr": [14, 26, 29, 33, 36, 39, 41, 50, 52, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 76, 78, 79, 80, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 96, 97, 99, 100, 101, 102, 103, 104, 105, 122, 123, 125, 127, 130, 144, 158, 244], "setmolecul": [14, 16, 20, 36, 64, 65, 70, 76, 101, 105, 158, 160, 161, 164, 165, 178], "obtain": [14, 29, 32, 37, 68, 82, 86, 91, 92, 96, 129, 172], "lookup": [14, 50, 247], "been": [14, 29, 50, 52, 67, 69, 76, 96, 97, 133, 135, 172, 179, 186, 189, 198, 199, 201, 209, 210, 213, 218, 220, 223, 226, 233, 234, 235, 238, 240, 253, 259], "previous": [14, 209, 210, 213, 226], "cach": [14, 52, 63, 67, 83, 93, 176, 247, 248], "There": [14, 63, 82, 83, 174, 192, 193, 194, 213, 239, 240], "correspond": [14, 16, 25, 29, 62, 63, 83, 96, 174, 176, 177, 179, 183, 216, 220, 251], "reset": [14, 49, 52, 63, 83, 91, 92, 93, 97, 105, 119, 124, 158, 160, 161, 164, 165, 186, 211, 221, 225, 226, 227, 243, 244], "typer": 14, "state": [14, 49, 52, 62, 63, 66, 69, 83, 91, 92, 96, 97, 126, 159, 177, 179, 244], "m_type": [14, 134, 160, 161, 166], "initi": [14, 24, 25, 27, 38, 63, 66, 69, 79, 83, 85, 86, 96, 105, 124, 160, 161, 165, 166, 176, 177, 201, 203, 207, 223, 227, 231, 232, 243, 245, 246, 247, 248, 250], "setup": [14, 62, 170, 211, 216, 246], "prior": [14, 62, 179], "enough": [14, 52], "room": 14, "determin": [14, 33, 41, 50, 52, 62, 63, 83, 118, 126, 176, 188, 189, 191, 209, 222, 226, 229, 232, 233, 248], "m_molecul": [14, 16, 96, 160, 161, 165], "popul": [14, 16, 22, 26, 52, 96], "spglib": [15, 40, 96, 184, 243], "short": [15, 29, 40, 43, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 93, 96, 107, 110, 111, 112, 113, 114, 115, 143, 160, 161], "gethallnumb": [15, 160, 161], "carttol": [15, 40, 96], "1e": [15, 40, 96], "hall": [15, 40, 96, 250], "crystal": [15, 40, 42, 181, 185, 189, 199, 207, 209, 211, 238, 244, 248], "unit": [15, 20, 22, 24, 29, 40, 42, 63, 83, 96, 174, 177, 181, 182, 185, 188, 189, 191, 194, 205, 211, 213, 244, 248, 250, 257], "cell": [15, 20, 22, 29, 40, 42, 96, 174, 181, 182, 185, 186, 189, 191, 194, 205, 211, 213, 244, 248, 250, 257], "exist": [15, 23, 27, 29, 44, 52, 66, 68, 86, 96, 103, 127, 135, 169, 173, 174, 220, 236, 244], "algorithm": [15, 22, 85, 96, 187, 209, 214], "fail": [15, 43, 52, 63, 66, 67, 83, 96, 128, 129, 170, 174, 179], "succe": 15, "handl": [15, 22, 49, 50, 64, 69, 76, 79, 89, 90, 93, 101, 105, 118, 134, 143, 160, 163, 164, 165, 166, 168, 169, 170, 173, 238, 243, 248], "cartesian": [15, 20, 22, 25, 38, 40, 42, 96, 170, 174, 183, 184, 187, 188, 199, 211], "toler": [15, 29, 40, 96, 184, 187, 247], "reducetoprimit": [15, 160, 161], "reduc": [15, 22, 40, 96, 179, 181, 185, 250], "primit": [15, 25, 38, 96, 97, 116, 120, 121, 122, 124, 125, 133, 136, 137, 160, 166, 181, 185], "unless": [15, 19, 179, 250], "miss": [15, 236, 244, 247, 249], "conventionalizecel": [15, 96, 160, 161, 165], "refin": [15, 218], "convention": [15, 96], "symmetr": [15, 96, 160, 161, 188, 238], "basi": [16, 25, 26, 29, 38, 39, 63, 83, 108, 109, 174, 179, 209, 248], "gaussianset": [16, 26, 38, 39, 109, 160, 161], "slaterset": [16, 160, 161], "capabl": [16, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 96, 107, 110, 111, 112, 113, 114, 115, 116, 137, 173, 174, 207, 210, 218], "calcul": [16, 25, 26, 28, 29, 38, 39, 63, 64, 65, 69, 83, 85, 106, 119, 142, 164, 174, 182, 183, 184, 186, 189, 191, 211, 216, 218, 226, 229, 232, 233, 235, 238, 247, 250, 251, 253, 262], "electrontyp": [16, 25, 26, 38, 160, 161], "electron": [16, 24, 25, 26, 29, 39, 209, 232, 233, 247, 250], "pair": [16, 25, 26, 27, 28, 29, 35, 38, 63, 83, 86, 96, 117, 160, 161, 174, 176, 177, 209, 232, 238, 247], "alpha": [16, 25, 26, 42, 141, 143, 160, 161, 166, 170, 243, 247], "beta": [16, 25, 26, 42, 160, 161, 170, 236, 237], "cannot": [16, 22, 30, 31, 50, 52, 69, 157, 179, 238], "enumer": [16, 20, 22, 23, 25, 34, 38, 43, 49, 52, 62, 66, 68, 78, 79, 82, 86, 97, 118, 127, 132, 134, 135, 141, 143, 148, 149, 150, 151, 152, 153, 154, 155, 156, 172], "destructor": [16, 25, 28, 38, 52, 85], "setelectroncount": [16, 160, 161], "electroncount": [16, 160, 161], "molecule_": 16, "get": [16, 23, 25, 29, 40, 46, 47, 48, 49, 50, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 76, 83, 85, 86, 88, 91, 92, 96, 103, 104, 105, 107, 110, 111, 112, 113, 114, 115, 116, 118, 119, 121, 122, 124, 125, 126, 127, 129, 130, 133, 134, 135, 137, 158, 159, 162, 168, 170, 172, 181, 239, 240, 243, 259], "belong": [16, 68, 86, 91, 92], "setnam": [16, 23, 28, 160, 161], "settheorynam": [16, 160, 161], "theorynam": [16, 160, 161], "molecularorbitalcount": [16, 25, 38, 160, 161], "molecular": [16, 25, 26, 29, 38, 39, 63, 83, 105, 162, 167, 168, 169, 170, 171, 172, 174, 181, 193, 195, 196, 199, 203, 206, 211, 213, 215, 220, 229, 230, 232, 236, 238, 239, 247, 248, 250, 253, 254, 259], "orbit": [16, 25, 26, 38, 39, 108, 160, 161, 162, 181, 199, 205, 211, 230, 238, 244, 249, 250, 258, 261], "homo": [16, 160, 161], "given": [16, 23, 24, 25, 27, 29, 40, 43, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 65, 68, 79, 84, 86, 96, 105, 107, 110, 111, 112, 113, 114, 115, 168, 171], "mo": [16, 23, 25, 26, 38, 160, 161, 248], "lumo": [16, 160, 161], "m_electron": [16, 160, 161], "total": [16, 29, 62, 229, 248], "close": [16, 49, 52, 65, 71, 160, 163, 179, 211, 215, 233, 234, 244, 246, 247, 257], "shell": [16, 25, 38, 108, 160, 163], "doubli": 16, "occupi": [16, 52], "hold": [16, 85, 108, 172, 193, 197, 203, 204, 220, 228], "possibli": 16, "bond": [16, 18, 29, 34, 63, 82, 83, 86, 92, 96, 132, 160, 161, 162, 165, 166, 172, 174, 181, 183, 189, 191, 200, 201, 204, 205, 207, 209, 213, 214, 218, 220, 223, 224, 225, 226, 228, 229, 232, 245, 246, 247, 248, 250, 256, 257, 258, 259, 260, 261, 262], "read": [16, 29, 37, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 70, 76, 79, 83, 107, 110, 111, 112, 113, 114, 115, 160, 163, 165, 170, 172, 174, 176, 179, 196, 207, 232, 243, 244, 245, 246, 248, 250], "output": [16, 20, 22, 25, 30, 31, 38, 46, 47, 48, 49, 51, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 66, 69, 83, 93, 107, 108, 110, 111, 112, 113, 114, 115, 157, 163, 164, 168, 169, 170, 173, 174, 208, 215, 218, 232, 234, 235, 247, 248, 249, 250], "necessarili": 16, "m_name": [16, 23, 160, 161], "usual": [16, 172, 240], "standard": [16, 63, 71, 83, 91, 92, 93, 96, 118, 135, 159, 167, 168, 169, 170, 172, 173, 174, 179, 199, 210, 244, 248, 250], "m_theorynam": [16, 160, 161], "theori": [16, 63, 83, 174, 179, 200, 211, 248, 254], "bondtempl": [17, 95, 160, 161], "bondtyp": [17, 29, 86, 92, 96, 160, 161, 165], "atom1": [18, 29, 86, 96, 160, 161], "atom2": [18, 29, 86, 96, 160, 161], "setord": [18, 160, 161], "o": [18, 93, 119, 127, 137, 159, 168, 201, 208, 218, 223, 240, 262], "getotheratom": [18, 160, 161], "represent": [19, 22, 42, 63, 83, 135, 173, 174, 179, 199, 208], "rgb": [19, 63, 83, 141, 174], "three": [19, 24, 25, 38, 128, 129, 143, 199, 207, 226, 229], "float": [19, 23, 28, 43, 85, 116, 119, 120, 121, 122, 124, 125, 126, 128, 131, 133, 135, 136, 137, 139, 140, 141, 143, 145, 160, 161, 168, 170, 172, 247], "rang": [19, 22, 63, 83, 125, 127, 129, 135, 141, 143, 168, 170, 174, 177, 209, 229, 238, 247, 259], "intens": [19, 29, 247], "red": [19, 141, 143, 160, 161, 166, 199, 219, 233, 238, 250], "green": [19, 141, 143, 160, 161, 166, 199, 219, 250], "memori": [19, 25, 52, 96, 135, 246, 250], "3": [19, 28, 63, 83, 85, 128, 129, 135, 141, 143, 160, 161, 168, 170, 177, 183, 187, 191, 201, 211, 214, 215, 223, 240, 243, 249, 250, 251, 252, 259, 260, 261], "pass": [19, 23, 28, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 69, 76, 83, 84, 85, 93, 101, 105, 107, 110, 111, 112, 113, 114, 115, 122, 123, 135, 167, 169, 174, 244, 247], "directli": [19, 50, 68, 168, 179, 190, 192, 196, 232], "opengl": [19, 124, 133, 162, 240, 246, 247, 248, 249], "conveni": [19, 29, 44, 49, 50, 52, 67, 68, 86, 162, 207, 212, 248], "written": [19, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 63, 65, 83, 85, 107, 110, 111, 112, 113, 114, 115, 169, 174, 177, 179, 233], "emphasi": 19, "effici": [19, 212, 244], "layout": [19, 66, 88], "black": [19, 133, 201, 204, 223, 227, 228], "integ": [19, 23, 28, 143, 174], "255": [19, 63, 83, 135, 141, 174], "expect": [19, 24, 25, 28, 63, 83, 85, 104, 169, 170, 174, 179, 240, 248], "align": [20, 22, 133, 141, 174, 181, 182, 183, 186, 191, 192, 211, 224, 248], "see": [20, 29, 52, 63, 65, 79, 83, 86, 96, 106, 135, 143, 162, 169, 173, 174, 184, 187, 188, 191, 192, 209, 232, 259], "setspecif": [20, 160, 161], "detail": [20, 22, 49, 52, 62, 63, 65, 66, 73, 83, 162, 168, 169, 170, 171, 173, 174, 209], "distanceunit": [20, 160, 161], "distanc": [20, 40, 42, 119, 139, 160, 161, 166, 182, 183, 209, 215, 226, 247, 248, 257], "angstrom": [20, 22, 42, 160, 161, 191, 207, 215], "bohr": [20, 160, 161, 191, 207], "setdistanceunit": [20, 160, 161], "spec": 20, "inform": [20, 25, 29, 40, 63, 83, 96, 105, 124, 135, 169, 174, 176, 179, 188, 198, 199, 204, 205, 207, 209, 211, 212, 215, 218, 220, 225, 228, 239, 246], "z": [20, 23, 29, 170, 174, 182, 186, 191, 192, 199, 207, 209, 213, 219, 221, 243], "6": [20, 22, 28, 63, 75, 83, 85, 124, 159, 160, 161, 168, 170, 172, 174, 191, 215, 240, 248, 254, 260], "carbon": [20, 24, 29, 75, 171, 172, 174, 176, 181, 186, 207, 222, 224, 227, 229, 250, 253, 259, 260, 261], "l": [20, 120, 179, 240, 248], "c1": [20, 248], "gamess": [20, 108, 174, 209, 247, 248], "lattic": [20, 22, 42, 96, 174, 187, 188], "requir": [20, 25, 50, 63, 66, 83, 124, 143, 159, 168, 169, 172, 173, 174, 176, 179, 216, 234, 236, 260], "A": [20, 22, 25, 27, 29, 32, 37, 42, 46, 47, 48, 49, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 66, 67, 68, 69, 71, 76, 79, 80, 82, 83, 86, 87, 88, 91, 92, 93, 96, 97, 99, 100, 101, 103, 105, 107, 110, 111, 112, 113, 114, 115, 116, 123, 125, 127, 133, 134, 135, 137, 143, 162, 169, 174, 177, 179, 180, 183, 189, 190, 192, 194, 195, 197, 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\u2013generate-input": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md10"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md24"]], "Automatic Generation of Geometry": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md11"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md25"], [174, "automatic-generation-of-geometry"]], "Error Handling": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md12"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md26"], [174, "error-handling"]], "Debugging": [[63, "class_avogadro_1_1_mole_queue_1_1_input_generator_1autotoc_md13"], [83, "class_avogadro_1_1_qt_gui_1_1_interface_script_1autotoc_md27"], [174, "debugging"], [169, "debugging"]], "Class Avogadro::QtGui::ElementDetail": [[73, "class-avogadro-qtgui-elementdetail"]], "Class Avogadro::MoleQueue::MoleQueueDialog": [[66, "class-avogadro-molequeue-molequeuedialog"]], "Class Avogadro::Io::XyzFormat": [[61, 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"class-avogadro-qtgui-customelementdialog"]], "Class Avogadro::Io::OutcarFormat": [[57, "class-avogadro-io-outcarformat"]], "Class Avogadro::Io::MdlFormat": [[56, "class-avogadro-io-mdlformat"]], "Class Avogadro::MoleQueue::MoleQueueQueueListModel": [[68, "class-avogadro-molequeue-molequeuequeuelistmodel"]], "Class Avogadro::QtGui::ContainerWidget": [[71, "class-avogadro-qtgui-containerwidget"]], "Class Avogadro::Io::Hdf5DataFormat": [[52, "class-avogadro-io-hdf5dataformat"]], "Class Avogadro::Io::FileFormatManager": [[50, "class-avogadro-io-fileformatmanager"]], "Class Avogadro::Io::PdbFormat": [[58, "class-avogadro-io-pdbformat"]], "Class Avogadro::Io::MMTFFormat": [[55, "class-avogadro-io-mmtfformat"]], "Hydrogen Molecule": [[258, "hydrogen-molecule"]], "Task": [[258, "task"], [261, "task"], [254, "task"], [252, "task"], [257, "task"], [256, "task"], [262, "task"], [260, "task"]], "Solution": [[258, "solution"], [261, "solution"], [255, "solution"], [257, "solution"], [251, "solution"], [262, "solution"], [260, "solution"]], "See also": [[258, "see-also"], [261, "see-also"], [254, "see-also"], [252, "see-also"], [257, "see-also"], [256, "see-also"], [262, "see-also"], [260, "see-also"]], "Sources": [[258, "sources"], [257, "sources"], [262, "sources"]], "Organic Hybridization": [[261, "organic-hybridization"]], "Further reading": [[261, "further-reading"], [254, "further-reading"], [251, "further-reading"], [260, "further-reading"]], "1,3-diaxial interactions": [[255, "diaxial-interactions"]], "Tasks": [[255, "tasks"], [251, "tasks"]], "Basic VSEPR": [[254, "basic-vsepr"]], "Educational Publications Using Avogadro": [[253, "educational-publications-using-avogadro"]], "Yes We Chem": [[253, "yes-we-chem"]], "Computational Chemistry": [[253, "computational-chemistry"]], "Spectra / Spectroscopy": [[253, "spectra-spectroscopy"]], "Chemical Reactions and Mechanisms": [[253, "chemical-reactions-and-mechanisms"]], "Materials / Nano": [[253, "materials-nano"]], "Cheminformatics": [[253, "cheminformatics"]], "3D Printing and VR": [[253, "d-printing-and-vr"]], "Remote Teaching": [[253, "remote-teaching"]], "Teach": [[259, "teach"]], "Publications": [[259, "publications"]], "Activities": [[259, "activities"]], "General Chemistry": [[259, "general-chemistry"]], "Organic Chemistry": [[259, "organic-chemistry"]], "Biochemistry:": [[259, "biochemistry"]], "Alkene Isomers": [[252, "alkene-isomers"]], "Hydrogen Clusters": [[257, "hydrogen-clusters"]], "Issues": [[257, "issues"]], "Acid-Base Properties of Amino Acids": [[251, "acid-base-properties-of-amino-acids"]], "HCN dipole": [[256, "hcn-dipole"]], "Release Notes v1.99.0": [[250, "release-notes-v1-99-0"]], "\ud83c\udf1f Highlights (tldr)": [[250, "highlights-tldr"], [248, "highlights-tldr"]], "\u2728 Features": [[250, "features"], [245, "features"], [248, "features"], [244, "features"], [246, "features"], [247, "features"]], "\ud83d\udc1b Bug Fixes": [[250, "bug-fixes"], [245, "bug-fixes"], [248, "bug-fixes"], [244, "bug-fixes"], [243, "bug-fixes"], [246, "bug-fixes"], [247, "bug-fixes"], [249, "bug-fixes"]], "\ud83d\udc0d Scripting / Plugin Improvements": [[250, "scripting-plugin-improvements"]], "\ud83d\ude80 Performance Improvements": [[250, "performance-improvements"], [248, "performance-improvements"], [247, "performance-improvements"]], "\ud83e\uddf0 Builds / Maintenance": [[250, "builds-maintenance"]], "\ud83d\udcda Translations": [[250, "translations"], [245, "translations"], [248, "translations"], [244, "translations"], [246, "translations"], [247, "translations"], [249, "translations"]], "Water": [[262, "water"]], "Markovnikov\u2019s Rule": [[260, "markovnikovs-rule"]], "Class Avogadro::QtGui::ExtensionPluginFactory": [[77, "class-avogadro-qtgui-extensionpluginfactory"]], "Class Avogadro::QtGui::InterfaceScript": [[83, "class-avogadro-qtgui-interfacescript"]], "Class Avogadro::QtGui::PythonScript": [[93, "class-avogadro-qtgui-pythonscript"]], "Class Avogadro::QtGui::RWMolecule": [[96, "class-avogadro-qtgui-rwmolecule"]], "Class Avogadro::QtGui::MoleculeModel": [[87, "class-avogadro-qtgui-moleculemodel"]], "Class Avogadro::QtGui::PeriodicTableView": [[90, "class-avogadro-qtgui-periodictableview"]], "Class Avogadro::QtGui::MeshGenerator": [[85, "class-avogadro-qtgui-meshgenerator"]], "Class Avogadro::QtGui::MultiViewWidget": [[88, "class-avogadro-qtgui-multiviewwidget"]], "Class Avogadro::QtGui::ExtensionPlugin": [[76, "class-avogadro-qtgui-extensionplugin"]], "Class Avogadro::QtGui::Molecule": [[86, "class-avogadro-qtgui-molecule"]], "Class Avogadro::QtGui::ScenePlugin": [[97, "class-avogadro-qtgui-sceneplugin"]], "Class Avogadro::QtGui::HydrogenTools": [[82, "class-avogadro-qtgui-hydrogentools"]], "Class Avogadro::QtGui::PersistentBond": [[92, "class-avogadro-qtgui-persistentbond"]], "Class Avogadro::QtGui::FileBrowseWidget": [[78, "class-avogadro-qtgui-filebrowsewidget"]], "Class Avogadro::QtGui::PersistentAtom": [[91, "class-avogadro-qtgui-persistentatom"]], "Class Avogadro::QtGui::ScenePluginFactory": [[98, "class-avogadro-qtgui-scenepluginfactory"]], "Class Avogadro::QtGui::FileFormatDialog": [[79, "class-avogadro-qtgui-fileformatdialog"]], "Class Avogadro::QtGui::GenericHighlighter::Rule": [[81, "class-avogadro-qtgui-generichighlighter-rule"]], "Class Avogadro::QtGui::PeriodicTableScene": [[89, "class-avogadro-qtgui-periodictablescene"]], "Class Avogadro::QtGui::InterfaceWidget": [[84, "class-avogadro-qtgui-interfacewidget"]], "Class Avogadro::QtGui::RWAtom": [[94, "class-avogadro-qtgui-rwatom"]], "Class Avogadro::QtGui::ScenePluginModel": [[99, "class-avogadro-qtgui-scenepluginmodel"]], "Class Avogadro::QtGui::RWBond": [[95, "class-avogadro-qtgui-rwbond"]], "Class Avogadro::QtGui::ElementTranslator": [[75, "class-avogadro-qtgui-elementtranslator"]], "Class Avogadro::QtGui::GenericHighlighter": [[80, "class-avogadro-qtgui-generichighlighter"]], "Menus": [[211, "menus"], [211, null]], "Geometry Constraints": [[215, "geometry-constraints"]], "Constraints": [[215, "constraints"], [209, "constraints"]], "Example": [[215, "example"]], "Optimizations": [[215, "optimizations"]], "Example cont.": [[215, "example-cont"]], "Optimizing Geometry": [[217, "optimizing-geometry"]], "Optimization": [[217, null]], "Build Menu": [[207, "build-menu"]], "Cartesian Editor\u2026": [[207, "cartesian-editor"]], "1. Sort by\u2026": [[207, "sort-by"]], "2. Unit of Measure": [[207, "unit-of-measure"]], "3. Editing & Modifying Data": [[207, "editing-modifying-data"]], "Change H to Methyl": [[207, "change-h-to-methyl"]], "Add Hydrogens": [[207, "add-hydrogens"]], "Add Hydrogens for pH\u2026": [[207, "add-hydrogens-for-ph"]], "Remove Hydrogens": [[207, "remove-hydrogens"]], "Insert": [[207, "insert"]], "Invert Chirality": [[207, "invert-chirality"]], "Super Cell Builder\u2026": [[207, "super-cell-builder"]], "Nanotube Builder\u2026": [[207, "nanotube-builder"]], "Bond-Centric Manipulate Tool": [[222, "bond-centric-manipulate-tool"]], "Starting with the basics:": [[222, "starting-with-the-basics"]], "Adjusting Bonds and Torsion Angles": [[222, "adjusting-bonds-and-torsion-angles"]], "Display Types": [[200, "display-types"], [200, null]], "File Menu": [[210, "file-menu"]], "New": [[210, "new"]], "Open": [[210, "open"]], "Open Recent": [[210, "open-recent"]], "Close": [[210, "close"]], "Save": [[210, "save"]], "Save As\u2026": [[210, "save-as"]], "Revert to Saved": [[210, "revert-to-saved"]], "Import": [[210, "import"]], "Export": [[210, "export"]], "User Guide": [[206, "user-guide"]], "Avogadro 2": [[206, "avogadro-2"]], "Edit Menu": [[208, "edit-menu"]], "Undo": [[208, "undo"]], "Redo": [[208, "redo"]], "Cut": [[208, "cut"]], "Copy": [[208, "copy"]], "Copy As": [[208, "copy-as"]], "Paste": [[208, "paste"]], "Clear": [[208, "clear"]], "Select All": [[208, "select-all"], [212, "select-all"]], "Select None": [[208, "select-none"], [212, "select-none"]], "Saving Files": [[205, "saving-files"]], "Exporting to Other Formats": [[205, "exporting-to-other-formats"]], "Auto-Optimize Tool": [[220, "auto-optimize-tool"]], "Force Fields & Algorithms": [[220, "force-fields-algorithms"]], "Fixing & Ignoring Selections": [[220, "fixing-ignoring-selections"]], "Getting Started": [[202, "getting-started"]], "Enabling additional force fields": [[216, "enabling-additional-force-fields"]], "Creating an avogadro conda environment": [[216, "creating-an-avogadro-conda-environment"]], "Setting the Python path": [[216, "setting-the-python-path"]], "Select Menu": [[212, "select-menu"]], "Invert Selection": [[212, "invert-selection"]], "Select SMARTS\u2026": [[212, "select-smarts"]], "Select by Element\u2026": [[212, "select-by-element"]], "Select by Residue\u2026": [[212, "select-by-residue"]], "Select Solvent": [[212, "select-solvent"]], "Add Name Selection\u2026": [[212, "add-name-selection"]], "Tools": [[224, "tools"], [224, null]], "Introduction to Molecular Mechanics": [[218, "introduction-to-molecular-mechanics"]], "UFF": [[218, "uff"]], "MMFF94(s)": [[218, "mmff94-s"]], "GAFF": [[218, "gaff"]], "Making Selections": [[204, "making-selections"]], "Auto-Rotate Tool": [[221, "auto-rotate-tool"]], "Finding Conformers of Molecules": [[214, "finding-conformers-of-molecules"]], "Start with your molecule of interest": [[214, "start-with-your-molecule-of-interest"]], "Optimize the geometry": [[214, "optimize-the-geometry"]], "Change the force field options": [[214, "change-the-force-field-options"]], "Set the conformer search options": [[214, "set-the-conformer-search-options"]], "Pick a search method and start the search": [[214, "pick-a-search-method-and-start-the-search"]], "Draw Tool": [[223, "draw-tool"]], "Creating Carbon Dioxide": [[223, "creating-carbon-dioxide"], [201, "creating-carbon-dioxide"]], "Introduction": [[203, "introduction"]], "Opening a File": [[203, "opening-a-file"]], "Importing by Name": [[203, "importing-by-name"]], "Navigation": [[203, "navigation"]], "Drawing Molecules": [[201, "drawing-molecules"]], "Extension Menu": [[209, "extension-menu"]], "Animation": [[209, "animation"]], "Optimize Geometry": [[209, "optimize-geometry"]], "Molecular Mechanics": [[209, "molecular-mechanics"]], "Setup Force Field\u2026": [[209, "setup-force-field"]], "Calculate Energy": [[209, "calculate-energy"]], "Conformer Search": [[209, "conformer-search"]], "Ignore Selection": [[209, "ignore-selection"]], "Fix Selected Atoms": [[209, "fix-selected-atoms"]], "Avogadro Extensions\u2013Plugins": [[209, "avogadro-extensionsplugins"]], "General \u201cHow To\u201d for Plugins": [[209, "general-how-to-for-plugins"]], "Running Gaussian": [[209, "running-gaussian"]], "Molecular Orbitals": [[209, "molecular-orbitals"]], "QTAIM (Quantum Theory of Atoms in Molecules)": [[209, "qtaim-quantum-theory-of-atoms-in-molecules"], [199, "qtaim-quantum-theory-of-atoms-in-molecules"]], "Spectra\u2026": [[209, "spectra"]], "Create Surfaces\u2026": [[209, "create-surfaces"]], "View Menu": [[213, "view-menu"]], "New View": [[213, "new-view"]], "Duplicate View": [[213, "duplicate-view"]], "Detach View": [[213, "detach-view"]], "Close View": [[213, "close-view"]], "Center": [[213, "center"]], "Align View to Axes": [[213, "align-view-to-axes"]], "Full Screen": [[213, "full-screen"]], "Reset Display Types": [[213, "reset-display-types"]], "Set Background Color\u2026": [[213, "set-background-color"]], "Projection": [[213, "projection"]], "Display Axes": [[213, "display-axes"]], "Debug Information": [[213, "debug-information"]], "Use Quick Render": [[213, "use-quick-render"]], "All Molecules in File\u2026": [[213, "all-molecules-in-file"]], "Crystal View Options\u2026": [[213, "crystal-view-options"]], "Properties": [[213, "properties"]], "Align Tool": [[219, "align-tool"]], "Install": [[241, "install"], [239, "install"]], "Building Source Code": [[240, "building-source-code"]], "Cloning Repositories": [[240, "cloning-repositories"]], "Updating": [[240, "updating"]], "Prerequisites": [[240, "prerequisites"]], "Debian-based Distribution or Ubuntu": [[240, "debian-based-distribution-or-ubuntu"]], "Fedora 39": [[240, "fedora-39"]], "Building": [[240, "building"]], "Finding Qt, Windows Generators": [[240, "finding-qt-windows-generators"]], "Normal Development": [[240, "normal-development"]], "Build Tree Layout": [[240, "build-tree-layout"]], "Running Executables": [[240, "running-executables"]], "Building Packages": [[240, "building-packages"]], "Features": [[239, "features"], [243, "features"]], "Resources": [[239, "resources"]], "Connecting with the Avogadro community": [[239, "connecting-with-the-avogadro-community"]], "Viewing Electrostatic Potential Maps": [[233, "viewing-electrostatic-potential-maps"]], "Changing Surface Settings": [[233, "changing-surface-settings"]], "What\u2019s New in Avogadro 2": [[236, "whats-new-in-avogadro-2"]], "Selection Tool": [[228, "selection-tool"]], "Release Notes v1.95.1": [[245, "release-notes-v1-95-1"]], "\ud83e\uddf0 Maintenance": [[245, "maintenance"], [248, "maintenance"], [244, "maintenance"], [243, "maintenance"], [246, "maintenance"], [247, "maintenance"], [249, "maintenance"]], "Viewing Molecular Orbitals": [[234, "viewing-molecular-orbitals"]], "Configure": [[234, "configure"]], "Naming a Molecule": [[231, "naming-a-molecule"]], "Template Tool": [[229, "template-tool"], [238, "template-tool"]], "Inserting Atoms with Specific Geometry": [[229, "inserting-atoms-with-specific-geometry"]], "Attaching Ligands": [[229, "attaching-ligands"]], "Attaching Functional Groups": [[229, "attaching-functional-groups"]], "Creating New Ligands": [[229, "creating-new-ligands"]], "Creating New Haptic Ligands": [[229, "creating-new-haptic-ligands"]], "Using QTAIM (Atoms in Molecules) Analysis": [[232, "using-qtaim-atoms-in-molecules-analysis"]], "Start with a WFN File": [[232, "start-with-a-wfn-file"]], "Release Notes v1.98.0": [[248, "release-notes-v1-98-0"]], "Manipulate Tool": [[225, "manipulate-tool"]], "Major New Features": [[238, "major-new-features"]], "Speed and Stability": [[238, "speed-and-stability"]], "Rendering": [[238, "rendering"]], "New real-time shadows and depth effects": [[238, "new-real-time-shadows-and-depth-effects"]], "New \u201cclose contact\u201d rendering": [[238, "new-close-contact-rendering"]], "New non-bonded rendering analysis, including hydrogen bonds, halogen bonds, and chalcogen bonds": [[238, "new-non-bonded-rendering-analysis-including-hydrogen-bonds-halogen-bonds-and-chalcogen-bonds"]], "New cartoon / ribbon styles for proteins": [[238, "new-cartoon-ribbon-styles-for-proteins"]], "Layers": [[238, "layers"]], "Symmetry Properties": [[238, "symmetry-properties"]], "Solvent Accessible and Solvent Excluded Surfaces": [[238, "solvent-accessible-and-solvent-excluded-surfaces"]], "Flexible Electrostatics Models": [[238, "flexible-electrostatics-models"]], "New Analysis Tools": [[238, "new-analysis-tools"]], "Python Commands / Plugins": [[238, "python-commands-plugins"]], "Python Scripting and Jupyter Integration": [[238, "python-scripting-and-jupyter-integration"]], "New and updated interfaces to external programs": [[238, "new-and-updated-interfaces-to-external-programs"]], "Release Notes v1.95.0": [[244, "release-notes-v1-95-0"]], "Changes": [[244, "changes"], [246, "changes"]], "Release Notes v1.94.0": [[243, "release-notes-v1-94-0"]], "\ud83d\udc0d Python Improvements": [[243, "python-improvements"]], "Interface Changes": [[237, "interface-changes"]], "Input Generators": [[237, "input-generators"], [174, "input-generators"]], "Navigate Tool": [[227, "navigate-tool"]], "Version History": [[242, "version-history"], [242, null]], "Release Notes v1.96.0": [[246, "release-notes-v1-96-0"]], "\ud83d\ude80 Performance Fixes": [[246, "performance-fixes"]], "Viewing Vibrations": [[235, "viewing-vibrations"]], "Release Notes v1.97.0": [[247, "release-notes-v1-97-0"]], "Highlights (tldr)": [[247, "highlights-tldr"]], "Release Notes v1.98.1": [[249, "release-notes-v1-98-1"]], "Measure Tool": [[226, "measure-tool"]], "Tutorials": [[230, "tutorials"], [230, null]], "Class Avogadro::Core::SharedMutex": [[37, "class-avogadro-core-sharedmutex"]], "Class Avogadro::Core::internal::ArrayRefContainer": [[45, "class-avogadro-core-internal-arrayrefcontainer"]], "Class Avogadro::Core::RingPerceiver": [[36, "class-avogadro-core-ringperceiver"]], "Class Avogadro::Core::UnitCell": [[42, "class-avogadro-core-unitcell"]], "Class Avogadro::Core::VariantMap": [[44, "class-avogadro-core-variantmap"]], "Class Avogadro::Core::Mutex": [[32, "class-avogadro-core-mutex"]], "Class Avogadro::Core::Variant": [[43, "class-avogadro-core-variant"]], "Class Avogadro::Core::GaussianSet": [[25, "class-avogadro-core-gaussianset"]], "Class Avogadro::Io::CjsonFormat": [[46, "class-avogadro-io-cjsonformat"]], "Class Avogadro::Core::Residue": [[34, "class-avogadro-core-residue"]], "Class Avogadro::Io::DcdFormat": [[48, "class-avogadro-io-dcdformat"]], "Class Avogadro::Core::MoleculeDeserializer": [[30, "class-avogadro-core-moleculedeserializer"]], "Class Avogadro::Core::Mesh": [[28, "class-avogadro-core-mesh"]], "Class Avogadro::Core::SymbolAtomTyper": [[41, "class-avogadro-core-symbolatomtyper"]], "Class Avogadro::Io::CmlFormat": [[47, "class-avogadro-io-cmlformat"]], "Class Avogadro::Core::GaussianSetTools": [[26, "class-avogadro-core-gaussiansettools"]], "Class Avogadro::Core::Molecule": [[29, "class-avogadro-core-molecule"]], "Class Avogadro::Core::Graph": [[27, "class-avogadro-core-graph"]], "Class Avogadro::Core::NameAtomTyper": [[33, "class-avogadro-core-nameatomtyper"]], "Class Avogadro::Core::SpaceGroups": [[40, "class-avogadro-core-spacegroups"]], "Class Avogadro::Io::FileFormat": [[49, "class-avogadro-io-fileformat"]], "Class Avogadro::Core::ResidueData": [[35, "class-avogadro-core-residuedata"]], "Class Avogadro::Core::SlaterSet": [[38, "class-avogadro-core-slaterset"]], "Class Avogadro::Core::SlaterSetTools": [[39, "class-avogadro-core-slatersettools"]], "Class Avogadro::Core::MoleculeSerializer": [[31, "class-avogadro-core-moleculeserializer"]], "Table of contents": [[181, "table-of-contents"]], "Installing Script Plugins": [[176, "installing-script-plugins"]], "Directories": [[176, "directories"]], "Plugin Packages and Repositories": [[176, "plugin-packages-and-repositories"]], "Adding to the Plugin Directory": [[176, "adding-to-the-plugin-directory"]], "Building Carbon Nanotubes": [[191, "building-carbon-nanotubes"]], "Building DNA or RNA": [[192, "building-dna-or-rna"]], "Building with SMILES": [[193, "building-with-smiles"]], "Coloring Part of a Molecules": [[198, "coloring-part-of-a-molecules"]], "Hemoglobin": [[198, "hemoglobin"]], "Select by Residue": [[198, "select-by-residue"]], "Select by Element": [[198, "select-by-element"]], "Building a Peptide": [[190, "building-a-peptide"]], "Perceiving Crystall Symmetry": [[184, "perceiving-crystall-symmetry"]], "Open a Crystal File": [[184, "open-a-crystal-file"]], "Building a Polymer Unit Cell": [[183, "building-a-polymer-unit-cell"]], "Scaling Crystal Cell Volume": [[188, "scaling-crystal-cell-volume"]], "Building Molecule-Surface Interactions": [[186, "building-molecule-surface-interactions"]], "Start with a generated Crystal Surface": [[186, "start-with-a-generated-crystal-surface"]], "New Window: Create our Molecule": [[186, "new-window-create-our-molecule"]], "Reducing Crystals to a Primitive Unit Cell": [[187, "reducing-crystals-to-a-primitive-unit-cell"]], "Different Display Styles": [[199, "different-display-styles"]], "Locating Display Types": [[199, "locating-display-types"]], "Axes": [[199, "axes"]], "Ball and Stick": [[199, "ball-and-stick"]], "Cartoon": [[199, "cartoon"]], "Dipole": [[199, "dipole"]], "Force": [[199, "force"]], "Hydrogen Bond": [[199, "hydrogen-bond"]], "Label": [[199, "label"]], "Polygon": [[199, "polygon"]], "Ribbon": [[199, "ribbon"]], "Ring": [[199, "ring"]], "Stick": [[199, "stick"]], "Surfaces": [[199, "surfaces"]], "Van der Waals Spheres": [[199, "van-der-waals-spheres"]], "Wireframe": [[199, "wireframe"]], "Script Interfaces": [[177, "script-interfaces"]], "Fixed String Lists (Pop-up menus)": [[177, "fixed-string-lists-pop-up-menus"]], "Integer Values": [[177, "integer-values"]], "Floating-point values": [[177, "floating-point-values"]], "VTK Classes": [[178, "vtk-classes"]], "Building Materials": [[185, "building-materials"], [185, null]], "Making a Crystal Surface Slab": [[182, "making-a-crystal-surface-slab"]], "Import the appropriate crystal structure.": [[182, "import-the-appropriate-crystal-structure"]], "Importing Molecules by Name": [[195, "importing-molecules-by-name"]], "License": [[179, "license"]], "Creative Commons Attribution-ShareAlike 4.0 International": [[179, "creative-commons-attribution-sharealike-4-0-international"]], "Using Creative Commons Public Licenses": [[179, "using-creative-commons-public-licenses"]], "Creative Commons Attribution-ShareAlike 4.0 International Public License": [[179, "creative-commons-attribution-sharealike-4-0-international-public-license"]], "Section 1 \u2013 Definitions.": [[179, "section-1-definitions"]], "Section 2 \u2013 Scope.": [[179, "section-2-scope"]], "Section 3 \u2013 License Conditions.": [[179, "section-3-license-conditions"]], "Section 4 \u2013 Sui Generis Database Rights.": [[179, "section-4-sui-generis-database-rights"]], "Section 5 \u2013 Disclaimer of Warranties and Limitation of Liability.": [[179, "section-5-disclaimer-of-warranties-and-limitation-of-liability"]], "Section 6 \u2013 Term and Termination.": [[179, "section-6-term-and-termination"]], "Section 7 \u2013 Other Terms and Conditions.": [[179, "section-7-other-terms-and-conditions"]], "Section 8 \u2013 Interpretation.": [[179, "section-8-interpretation"]], "Insert Molecular Fragments": [[197, "insert-molecular-fragments"]], "Building a Supercell": [[189, "building-a-supercell"]], "Creating a Surface": [[189, "creating-a-surface"]], "Script Plugins": [[175, "script-plugins"], [162, "script-plugins"]], "Building Molecules": [[196, "building-molecules"], [196, null]], "Importing from the Protein Data Bank (PDB)": [[194, "importing-from-the-protein-data-bank-pdb"]], "Importing Directly": [[194, "importing-directly"]], "Reading a Downloaded PDB file": [[194, "reading-a-downloaded-pdb-file"]], "Avogadro: Molecular Editor and Visualization": [[180, "avogadro-molecular-editor-and-visualization"]], "Class Avogadro::QtGui::ViewFactory": [[103, "class-avogadro-qtgui-viewfactory"]], "Class Avogadro::QtGui::ToolPlugin": [[101, "class-avogadro-qtgui-toolplugin"]], "Class Avogadro::Rendering::ArrowGeometry": [[117, "class-avogadro-rendering-arrowgeometry"]], "Class Avogadro::Rendering::AmbientOcclusionSphereGeometry": [[116, "class-avogadro-rendering-ambientocclusionspheregeometry"]], "Class Avogadro::QuantumIO::NWChemLog": [[115, "class-avogadro-quantumio-nwchemlog"]], "Class Avogadro::QuantumIO::GaussianFchk": [[111, "class-avogadro-quantumio-gaussianfchk"]], "Class Avogadro::QuantumIO::MoldenFile": [[112, "class-avogadro-quantumio-moldenfile"]], "Class Avogadro::QuantumIO::GAMESSUSOutput": [[107, "class-avogadro-quantumio-gamessusoutput"]], "Class Avogadro::QtGui::ScriptLoader": [[100, "class-avogadro-qtgui-scriptloader"]], "Class Avogadro::Rendering::GLRenderVisitor": [[123, "class-avogadro-rendering-glrendervisitor"]], "Class Avogadro::QuantumIO::GaussianCube": [[110, "class-avogadro-quantumio-gaussiancube"]], "Class Avogadro::Rendering::CylinderGeometry": [[121, "class-avogadro-rendering-cylindergeometry"]], "Class Avogadro::Rendering::GLRenderer": [[124, "class-avogadro-rendering-glrenderer"]], "Class Avogadro::QtGui::ToolPluginFactory": [[102, "class-avogadro-qtgui-toolpluginfactory"]], "Class Avogadro::QuantumIO::GUKBasisSet": [[108, "class-avogadro-quantumio-gukbasisset"]], "Class Avogadro::QuantumIO::MopacAux": [[113, "class-avogadro-quantumio-mopacaux"]], "Class Avogadro::QuantumIO::NWChemJson": [[114, "class-avogadro-quantumio-nwchemjson"]], "Class Avogadro::Rendering::Drawable": [[122, "class-avogadro-rendering-drawable"]], "Class Avogadro::QtOpenGL::ActiveObjects": [[104, "class-avogadro-qtopengl-activeobjects"]], "Class Avogadro::Rendering::BufferObject": [[118, "class-avogadro-rendering-bufferobject"]], "Class Avogadro::Rendering::Camera": [[119, "class-avogadro-rendering-camera"]], "Class Avogadro::QuantumIO::GamessukOut": [[109, "class-avogadro-quantumio-gamessukout"]], "Class Avogadro::Rendering::Cylinder": [[120, "class-avogadro-rendering-cylinder"]], "Class Avogadro::QtOpenGL::GLWidget": [[105, "class-avogadro-qtopengl-glwidget"]], "Class Avogadro::QtOpenGL::QtTextRenderStrategy": [[106, "class-avogadro-qtopengl-qttextrenderstrategy"]], "Class List": [[160, "class-list"]], "Class Avogadro::TypeTraits< double >": [[150, "class-avogadro-typetraits-double"]], "Class Avogadro::VTK::vtkGLWidget": [[158, "class-avogadro-vtk-vtkglwidget"]], "Specifying parameters with --print-options": [[174, "specifying-parameters-with-print-options"]], "Handling User Selections: --generate-input": [[174, "handling-user-selections-generate-input"]], "Coordinate Blocks": [[174, "coordinate-blocks"]], "QtGui Classes": [[165, "qtgui-classes"]], "File Formats": [[173, "file-formats"]], "Identify the Format with --metadata": [[173, "identify-the-format-with-metadata"]], "Reading a format with --read": [[173, "reading-a-format-with-read"]], "Writing a format with --write": [[173, "writing-a-format-with-write"]], "Example Plugin Script - Part 1": [[171, "example-plugin-script-part-1"]], "The Main function:": [[171, "the-main-function"]], "Input Arguments": [[171, "input-arguments"]], "getOptions() Function": [[171, "getoptions-function"]], "Rendering Classes": [[166, "rendering-classes"]], "Class Avogadro::TypeTraits< int >": [[152, "class-avogadro-typetraits-int"]], "MoleQueue Classes": [[164, "molequeue-classes"]], "Charges / Electrostatics": [[168, "charges-electrostatics"]], "Identify the Script with --metadata": [[168, "identify-the-script-with-metadata"], [170, "identify-the-script-with-metadata"]], "Calculating Atomic Partial Charges with --charge": [[168, "calculating-atomic-partial-charges-with-charge"]], "Generating Electrostatic Potentials with --potential": [[168, "generating-electrostatic-potentials-with-potential"]], "Class vtkAvogadroActor": [[159, "class-vtkavogadroactor"]], "Avogadro Remote Procedure Call (RPC)": [[167, "avogadro-remote-procedure-call-rpc"]], "RPC Protocol": [[167, "rpc-protocol"]], "Methods": [[167, "methods"]], "Class Avogadro::TypeTraits< float >": [[151, "class-avogadro-typetraits-float"]], "Class Avogadro::TypeTraits< short >": [[153, "class-avogadro-typetraits-short"]], "Example Plugin Script - Part 2": [[172, "example-plugin-script-part-2"]], "Providing Input to Run Command": [[172, "providing-input-to-run-command"]], "runCommand() Function": [[172, "runcommand-function"]], "Operation Function": [[172, "operation-function"]], "Retrieving necessary components": [[172, "retrieving-necessary-components"]], "Support for Selection": [[172, "support-for-selection"]], "Sample Input and Output": [[172, "sample-input-and-output"]], "Class Avogadro::TypeTraits< unsigned int >": [[155, "class-avogadro-typetraits-unsigned-int"]], "Class Avogadro::TypeTraits< unsigned short >": [[156, "class-avogadro-typetraits-unsigned-short"]], "Class Avogadro::TypeTraits< unsigned char >": [[154, "class-avogadro-typetraits-unsigned-char"]], "Develop": [[162, "develop"]], "External Scripting": [[162, "external-scripting"]], "Libraries": [[162, "libraries"]], "Main Classes": [[162, "main-classes"]], "Core Classes": [[161, "core-classes"]], "Command Scripts": [[169, "command-scripts"]], "Specifying UI options with \u2013print-options": [[169, "specifying-ui-options-with-print-options"]], "Returning Data": [[169, "returning-data"]], "Returning Data in a Specific File Format": [[169, "returning-data-in-a-specific-file-format"]], "Appending New Atoms and Bonds": [[169, "appending-new-atoms-and-bonds"]], "Bonding New Atoms": [[169, "bonding-new-atoms"]], "Selected Atoms": [[169, "selected-atoms"]], "Energy / Force Fields": [[170, "energy-force-fields"]], "Calculating Energies and Gradients": [[170, "calculating-energies-and-gradients"]], "Unit Cells, Total Charge, and Spin Multiplicity": [[170, "unit-cells-total-charge-and-spin-multiplicity"]], "Lattice Vectors and Fractional Coordinates": [[170, "lattice-vectors-and-fractional-coordinates"]], "Class Avogadro::VTK::VtkPlot": [[157, "class-avogadro-vtk-vtkplot"]], "IO Classes": [[163, "io-classes"]], "Class Avogadro::Rendering::POVRayVisitor": [[131, "class-avogadro-rendering-povrayvisitor"]], "Class Avogadro::Rendering::ShaderProgram": [[135, "class-avogadro-rendering-shaderprogram"]], "Class Avogadro::Rendering::GeometryNode": [[125, "class-avogadro-rendering-geometrynode"]], "Class Avogadro::Rendering::TextProperties": [[141, "class-avogadro-rendering-textproperties"]], "Class Avogadro::Rendering::MeshGeometry": [[129, "class-avogadro-rendering-meshgeometry"]], "Class Avogadro::Rendering::LineStripGeometry": [[128, "class-avogadro-rendering-linestripgeometry"]], "Class Avogadro::TypeTraits": [[148, 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