double Treal_to_Tmd (double Treal, double *dTmd__dTreal) { /* double Tmd; */ /* Tmd = Treal; */ /* *dTmd__dTreal = 1.0; */ /* return (Tmd); */ return (Debye_Treal_to_Tmd (747.4, Treal, dTmd__dTreal)); } /* end Treal_to_Tmd() */ double Tmd_to_Treal (double Tmd, double *dTmd__dTreal) { /* double Treal; */ /* Treal = Tmd; */ /* *dTmd__dTreal = 1.0; */ /* return (Treal); */ return (Debye_Tmd_to_Treal (747.4, Tmd, dTmd__dTreal)); } /* end Tmd_to_Treal() */ void get_scheduled_symmat (ScheduleList *schedules[DIMSYM], double t, M3 M) { int i,j; for (i=0; idx[DIMENSION*i]) ); nmobile ++; } if (nmobile > 0) cc /= nmobile; return (cc); } /* end MSD() */ void save_config (char *fn) { if (Fvalid(fn) && strncasecmp(fn,"NO",2) && strncasecmp(fn,"NULL",4)) { Config_save (Config_Aapp_to_Alib, TRUE, fn); Fprintf (ft, "Configuration saved on file \"%s\".\n\n", fn); } return; } /* end save_config() */