Searched refs:en_kcal_per_mole (Results 1 – 3 of 3) sorted by relevance
278 double en_kcal_per_mole = enthalpy; in ReadMolecule() local282 snprintf(tag, BUFF_SIZE, "%f", en_kcal_per_mole); in ReadMolecule()
359 double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL; in ReadMolecule() local361 snprintf(tag, BUFF_SIZE, "%f", en_kcal_per_mole); in ReadMolecule()
556 double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL; in ReadMolecule() local558 snprintf(tag, BUFF_SIZE, "%f", en_kcal_per_mole); in ReadMolecule()