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Searched refs:has_occup_per_wavef (Results 1 – 8 of 8) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/external/vmd_molfile/
H A Dmolfile_plugin.h200 int has_occup_per_wavef[MOLFILE_MAXWAVEPERTS]; /**< orbital occupancy flags */ member
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/include/
H A Dmolfile_plugin.h494 int has_occup_per_wavef[MOLFILE_MAXWAVEPERTS]; /**< orbital occupancy flags */ member
/dports/science/py-rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h452 int has_occup_per_wavef[MOLFILE_MAXWAVEPERTS]; /**< orbital occupancy flags */ member
/dports/science/plumed/plumed2-2.7.2/src/molfile/
H A Dmolfile_plugin.h535 int has_occup_per_wavef[MOLFILE_MAXWAVEPERTS]; /**< orbital occupancy flags */ member
/dports/science/rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h452 int has_occup_per_wavef[MOLFILE_MAXWAVEPERTS]; /**< orbital occupancy flags */ member
/dports/science/lammps/lammps-stable_29Sep2021/lib/molfile/
H A Dmolfile_plugin.h539 int has_occup_per_wavef[MOLFILE_MAXWAVEPERTS]; /**< orbital occupancy flags */ member
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Dmoldenplugin.c443 meta->has_occup_per_wavef[i] = cur_ts->wave[i].has_occup; in read_qm_timestep_metadata()
H A Dgamessplugin.c702 meta->has_occup_per_wavef[i] = cur_ts->wave[i].has_occup; in read_qm_timestep_metadata()
716 meta->has_occup_per_wavef[0] = FALSE; in read_qm_timestep_metadata()