Searched defs:fChg (Results 1 – 4 of 4) sorted by relevance
168 void setMMFFFormalCharge(const unsigned int idx, const double fChg) { in setMMFFFormalCharge()
3249 double fChg = 0.0; in computeMMFFCharges() local
360 fChg = 0; in MakeIaoChargesRaw() local
2145 fChg = 0; in AddChargeContributions() local2175 fChg = 0; in MakeIaoCharges() local