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Searched defs:fCharge (Results 1 – 3 of 3) sorted by relevance

/dports/science/cdk/cdk-cdk-2.3/tool/forcefield/src/main/java/org/openscience/cdk/forcefield/mmff/
H A DMmff.java418 int fCharge(IAtom atom) { in fCharge() method in Mmff
/dports/science/iboview/ibo-view.20150427/src/IboView/
H A DIvDocument.h239 double fCharge; member
H A DIvDocument.cpp1936 void FChargeAnalysis::Add(int iAt, int AngMom, double fCharge, double fSpin) in Add()
2133 fCharge = info.fChargeFactor(), in AddChargeContributions() local