Searched refs:enthalpyPD_pv (Results 1 – 3 of 3) sorted by relevance
271 OBPairData *enthalpyPD_pv = new OBPairData(); in ReadMolecule() local275 enthalpyPD_pv->SetAttribute("Enthalpy PV term (kcal/mol)"); in ReadMolecule()285 enthalpyPD_pv->SetValue(tag); in ReadMolecule()291 pmol->SetData(enthalpyPD_pv); in ReadMolecule()
352 OBPairData *enthalpyPD_pv = new OBPairData(); in ReadMolecule() local356 enthalpyPD_pv->SetAttribute("Enthalpy PV term (kcal/mol)"); in ReadMolecule()364 enthalpyPD_pv->SetValue(tag); in ReadMolecule()370 pmol->SetData(enthalpyPD_pv); in ReadMolecule()
549 OBPairData *enthalpyPD_pv = new OBPairData(); in ReadMolecule() local553 enthalpyPD_pv->SetAttribute("Enthalpy PV term (kcal/mol)"); in ReadMolecule()561 enthalpyPD_pv->SetValue(tag); in ReadMolecule()567 pmol->SetData(enthalpyPD_pv); in ReadMolecule()