Searched defs:atoms0 (Results 1 – 2 of 2) sorted by relevance
15 def atoms0(): function22 def forcefield_params(atoms0): argument85 def atoms(atoms0, calc): argument
1355 std::vector<Atom *> atoms0 = {{m.getAtomWithIdx(0), m.getAtomWithIdx(1)}}; in testEnhancedStereoChemistry() local