Searched refs:enthalpyPD_pv_eV (Results 1 – 3 of 3) sorted by relevance
273 OBPairData *enthalpyPD_pv_eV = new OBPairData(); in ReadMolecule() local277 enthalpyPD_pv_eV->SetAttribute("Enthalpy PV term (eV)"); in ReadMolecule()289 enthalpyPD_pv_eV->SetValue(tag); in ReadMolecule()293 pmol->SetData(enthalpyPD_pv_eV); in ReadMolecule()
354 OBPairData *enthalpyPD_pv_eV = new OBPairData(); in ReadMolecule() local358 enthalpyPD_pv_eV->SetAttribute("Enthalpy PV term (eV)"); in ReadMolecule()368 enthalpyPD_pv_eV->SetValue(tag); in ReadMolecule()372 pmol->SetData(enthalpyPD_pv_eV); in ReadMolecule()
551 OBPairData *enthalpyPD_pv_eV = new OBPairData(); in ReadMolecule() local555 enthalpyPD_pv_eV->SetAttribute("Enthalpy PV term (eV)"); in ReadMolecule()565 enthalpyPD_pv_eV->SetValue(tag); in ReadMolecule()569 pmol->SetData(enthalpyPD_pv_eV); in ReadMolecule()