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/dports/science/openbabel/openbabel-3.1.1/src/
H A Ddata.cpp135 double Vmodel, Vdhf, S0, HexpT; in GetHeatOfFormation() local
140 Vmodel = Vdhf = S0 = HexpT = 0; in GetHeatOfFormation()
155 HexpT += it->Value()*eFac; in GetHeatOfFormation()
188 *dhofT = Vdhf-Vmodel-HexpT; in GetHeatOfFormation()