Searched refs:MOLFILE_QMSTATUS_OPT_CONV (Results 1 – 6 of 6) sorted by relevance
290 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
233 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
331 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
335 #define MOLFILE_QMSTATUS_OPT_CONV 0 /* optimization converged */ macro
3079 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()