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Searched refs:enthalpyPD_pv_eV (Results 1 – 3 of 3) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/formats/
H A Dpwscfformat.cpp273 OBPairData *enthalpyPD_pv_eV = new OBPairData(); in ReadMolecule() local
277 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()
H A Dgulpformat.cpp354 OBPairData *enthalpyPD_pv_eV = new OBPairData(); in ReadMolecule() local
358 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()
H A Dvaspformat.cpp551 OBPairData *enthalpyPD_pv_eV = new OBPairData(); in ReadMolecule() local
555 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()