Merge pull request #1928 from ghutchis/avoid-orbital-switch-crash

Avoid crash in orbitals when switching molecules
OpenChemistry · Jan 9, 2025 · af2b88c · af2b88c
2 parents 38071a5 + 33de765
commit af2b88c
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Showing 2 changed files with 3 additions and 7 deletions.
diff --git a/avogadro/qtplugins/quantuminput/CMakeLists.txt b/avogadro/qtplugins/quantuminput/CMakeLists.txt
@@ -18,12 +18,13 @@ set(_prefix "${AvogadroLibs_SOURCE_DIR}/../avogadrogenerators")
 if(EXISTS "${_prefix}/generators.cmake")
   # Bundled generator scripts,
   include("${_prefix}/generators.cmake")
-  message("We have ${input_generators}")
+  # message("We have ${input_generators}")
   unset(_generators)
   foreach(gen ${input_generators})
     list(APPEND _generators "${_prefix}/${gen}")
   endforeach()
-  message("We have ${_generators}")
+  # debugging info with paths
+  # message("We have ${_generators}")
 
   option(INSTALL_TEST_INPUT_GENERATOR
     "Install a dummy input generator that is used to test generator scripts."

diff --git a/avogadro/qtplugins/surfaces/orbitals.cpp b/avogadro/qtplugins/surfaces/orbitals.cpp
@@ -95,11 +95,6 @@ void Orbitals::setMolecule(QtGui::Molecule* mol)
   m_currentRunningCalculation = -1;
   m_currentMeshCalculation = -1;
 
-  if (m_basis) {
-    delete m_basis;
-    m_basis = nullptr;
-  }
-
   loadBasis();
 
   if (!m_basis || m_basis->electronCount() == 0 || !hasOrbitals)