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Searched refs:MOLFILE_SCFTYPE_ROHF (Results 1 – 6 of 6) sorted by relevance

/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/include/
H A Dmolfile_plugin.h300 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
/dports/science/py-rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h243 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
/dports/science/plumed/plumed2-2.7.2/src/molfile/
H A Dmolfile_plugin.h341 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
/dports/science/rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h243 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
/dports/science/lammps/lammps-stable_29Sep2021/lib/molfile/
H A Dmolfile_plugin.h345 #define MOLFILE_SCFTYPE_ROHF 3 /* restricted open-shell Hartree-Fock */ macro
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Dgamessplugin.c1784 data->scftype = MOLFILE_SCFTYPE_ROHF; in get_contrl_firefly()
1925 data->scftype = MOLFILE_SCFTYPE_ROHF; in get_contrl()