Home
last modified time | relevance | path

Searched refs:MOLFILE_QMSTATUS_OPT_CONV (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.h290 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
/dports/science/py-rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h233 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
/dports/science/plumed/plumed2-2.7.2/src/molfile/
H A Dmolfile_plugin.h331 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
/dports/science/rmf/rmf-1.3.1/plugins/vmd/include/
H A Dmolfile_plugin.h233 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
/dports/science/lammps/lammps-stable_29Sep2021/lib/molfile/
H A Dmolfile_plugin.h335 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Dgamessplugin.c3079 data->status == MOLFILE_QMSTATUS_OPT_CONV || in get_traj_frame()
3085 if (data->status == MOLFILE_QMSTATUS_OPT_CONV || in get_traj_frame()
3237 data->status = MOLFILE_QMSTATUS_OPT_CONV; in analyze_traj()
3315 data->status = MOLFILE_QMSTATUS_OPT_CONV; in analyze_traj()