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Searched defs:fChg (Results 1 – 4 of 4) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.h168 void setMMFFFormalCharge(const unsigned int idx, const double fChg) { in setMMFFFormalCharge()
H A DAtomTyper.cpp3249 double fChg = 0.0; in computeMMFFCharges() local
/dports/science/iboview/ibo-view.20150427/src/IboView/
H A DIvIao.cpp360 fChg = 0; in MakeIaoChargesRaw() local
H A DIvDocument.cpp2145 fChg = 0; in AddChargeContributions() local
2175 fChg = 0; in MakeIaoCharges() local