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fix test_basis_set.py Installing and Testing #285: Commit 4ac1076 pushed by EBB2675
December 4, 2024 08:00 1m 15s 130-atom-centered-basis-set
130-atom-centered-basis-set
December 4, 2024 08:00 1m 15s
marked issues from calls to ase functions Installing and Testing #284: Commit 243cbb6 pushed by Bernadette-Mohr
December 3, 2024 16:29 1m 3s cg-particle-support
cg-particle-support
December 3, 2024 16:29 1m 3s
add a normalizer function for the AtomCenteredFunction to handle comb… Installing and Testing #283: Commit 80c8b64 pushed by EBB2675
November 28, 2024 15:44 1m 12s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 28, 2024 15:44 1m 12s
Make chemical formula generation and normalization of atom types cond… Installing and Testing #282: Commit a3805c2 pushed by Bernadette-Mohr
November 27, 2024 15:13 3m 7s cg-particle-support
cg-particle-support
November 27, 2024 15:13 3m 7s
Cell is 'ParticleCell', normalizer still calls atomic_cell.to_ase_atoms Installing and Testing #281: Commit 4f1692a pushed by Bernadette-Mohr
November 22, 2024 12:57 1m 6s cg-particle-support
cg-particle-support
November 22, 2024 12:57 1m 6s
remove contributions Installing and Testing #280: Commit 9ef13ea pushed by EBB2675
November 21, 2024 13:57 1m 20s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 21, 2024 13:57 1m 20s
MEnum for MolecularHamiltonianContributions Installing and Testing #279: Commit 23d7615 pushed by EBB2675
November 21, 2024 10:15 1m 14s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 21, 2024 10:15 1m 14s
modify Mesh Installing and Testing #278: Commit c5141ab pushed by EBB2675
November 20, 2024 15:56 1m 7s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 15:56 1m 7s
add tests for Mesh and NumericalIntegration Installing and Testing #277: Commit 4826f0c pushed by EBB2675
November 20, 2024 13:10 1m 19s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 13:10 1m 19s
add tests for AtomCenteredBasisSet and AtomCenteredFunction Installing and Testing #276: Commit e8fb5ef pushed by EBB2675
November 20, 2024 12:48 1m 34s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 12:48 1m 34s
check whether n_primitive matches the lengths of exponents and contra… Installing and Testing #275: Commit 0f92eb9 pushed by EBB2675
November 20, 2024 12:32 1m 5s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 12:32 1m 5s
add integration_thresh and weight_cutoff to NumericalIntegration Installing and Testing #274: Commit 42f4f38 pushed by EBB2675
November 20, 2024 10:42 1m 30s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 20, 2024 10:42 1m 30s
minor adjustments to Mesh and NumericalIntegration Installing and Testing #273: Commit cca109f pushed by EBB2675
November 19, 2024 16:27 1m 20s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 19, 2024 16:27 1m 20s
add Mesh, NumericalIntegration and MolecularHamiltonianSubTerms Installing and Testing #272: Commit 646430c pushed by EBB2675
November 19, 2024 16:11 1m 18s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 19, 2024 16:11 1m 18s
merge develop Installing and Testing #271: Commit 52d6b9a pushed by EBB2675
November 19, 2024 08:25 1m 9s 130-atom-centered-basis-set
130-atom-centered-basis-set
November 19, 2024 08:25 1m 9s
Add first rewrite Fermi surface Installing and Testing #270: Commit 8dbfeee pushed by ndaelman-hu
November 18, 2024 16:23 1m 5s test_new_physical_props
test_new_physical_props
November 18, 2024 16:23 1m 5s
Bump dependencies (#147) Installing and Testing #269: Commit 50154d5 pushed by JFRudzinski
November 18, 2024 14:53 1m 7s v0.3.1
v0.3.1
November 18, 2024 14:53 1m 7s
Bump dependencies (#147) Installing and Testing #268: Commit 50154d5 pushed by JFRudzinski
November 18, 2024 14:28 1m 6s v0.2.1
v0.2.1
November 18, 2024 14:28 1m 6s
Rewrite Energy Installing and Testing #267: Commit d355b4a pushed by ndaelman-hu
November 18, 2024 14:20 1m 1s test_new_physical_props
test_new_physical_props
November 18, 2024 14:20 1m 1s
Add `ArchiveSection via diamond inheritance Installing and Testing #266: Commit 5ef5714 pushed by ndaelman-hu
November 18, 2024 13:57 52s test_new_physical_props
test_new_physical_props
November 18, 2024 13:57 52s
- Rewrite band_structure.py Installing and Testing #265: Commit c318b7a pushed by ndaelman-hu
November 18, 2024 11:14 1m 0s test_new_physical_props
test_new_physical_props
November 18, 2024 11:14 1m 0s
Bump dependencies (#147) Installing and Testing #264: Commit 50154d5 pushed by ndaelman-hu
November 18, 2024 10:06 1m 16s develop
develop
November 18, 2024 10:06 1m 16s
Move out SpinChannel and MometumTransfer to variables.py Installing and Testing #263: Commit 8d1bf01 pushed by ndaelman-hu
November 17, 2024 23:19 1m 23s test_new_physical_props
test_new_physical_props
November 17, 2024 23:19 1m 23s
Bump dependencies Installing and Testing #262: Commit a7e1ef2 pushed by ndaelman-hu
November 15, 2024 21:17 1m 10s bump_dependencies
bump_dependencies
November 15, 2024 21:17 1m 10s
- Make PhysicalProperty initialize self.name Installing and Testing #261: Commit 1e671c8 pushed by ndaelman-hu
November 12, 2024 19:55 1m 25s 143-physicalproperty-rank-checks-broken-2
143-physicalproperty-rank-checks-broken-2
November 12, 2024 19:55 1m 25s