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Searched refs:getMMFFHerschbachLaurie (Results 1 – 2 of 2) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.h35 getMMFFHerschbachLaurie();
H A DAtomTyper.cpp58 const MMFFHerschbachLaurieCollection *getMMFFHerschbachLaurie() { in getMMFFHerschbachLaurie() function
2754 DefaultParameters::getMMFFHerschbachLaurie(); in getMMFFBondStretchEmpiricalRuleParams()