Skip to content

Commit

Permalink
Fix crash
Browse files Browse the repository at this point in the history
Signed-off-by: Geoff Hutchison <[email protected]>
  • Loading branch information
ghutchis committed Feb 3, 2024
1 parent a4f06bd commit 3ba14d2
Show file tree
Hide file tree
Showing 2 changed files with 3 additions and 2 deletions.
3 changes: 3 additions & 0 deletions avogadro/calc/energymanager.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -113,6 +113,9 @@ std::set<std::string> EnergyManager::identifiersForMolecule(

// check our models for compatibility
for (auto m_model : m_models) {
if (m_model == nullptr)
continue;

// we can check easy things first
// - is the molecule an ion based on total charge
// - is the molecule a radical based on spin multiplicity
Expand Down
2 changes: 0 additions & 2 deletions avogadro/qtplugins/forcefield/forcefield.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -65,8 +65,6 @@ Forcefield::Forcefield(QObject* parent_)
m_gradientTolerance = settings.value("gradientTolerance", 1.0e-4).toDouble();
settings.endGroup();

refreshScripts();

// add the openbabel calculators in case they don't exist
#ifdef BUILD_GPL_PLUGINS
// These directly use Open Babel and are fast
Expand Down

0 comments on commit 3ba14d2

Please sign in to comment.