Searched refs:MOLFILE_SCFTYPE_ROHF (Results 1 – 6 of 6) sorted by relevance
300 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
243 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
341 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
345 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
1784 data->scftype = MOLFILE_SCFTYPE_ROHF; in get_contrl_firefly()1925 data->scftype = MOLFILE_SCFTYPE_ROHF; in get_contrl()