/* configuration */ Aapp_Define_Config; Chemtab ct[1]={0}; Tp *tp=NULL; Neighborlist N[1]={0}; ConfigMotion *motion=NULL; double pote, *f=NULL, *v=NULL, *ep=NULL; M3 H0, stress; V3 hc; /* control */ FILE *fp_screen; double g; int integrator_id, halt_in_g; int md_in_g, report_freq_in_g, final_avg_start_in_g; char *fn_draw = "draw.out"; FILE *fp_draw; TermString fn_final_config, fn_tmp_config; char *tmp_config_serial_mode; int tmp_config_freq_in_g; TermString fn_input_config; int nc[DIMENSION]; bool NTH, NTS, VOLUMETRIC; ScheduleList *eta_schedules[DIMSYM], *sout_schedules[DIMSYM], *T_schedule; char *eta_schedule_tokens[DIMSYM] = {"eta11", "eta12", "eta13", "eta22", "eta23", "eta33"}; char *sout_schedule_tokens[DIMSYM] = {"sout11", "sout12", "sout13", "sout22", "sout23", "sout33"}; char *T_schedule_token = "T_schedule"; double coupling_time_constant, wall; bool CALC_GR, CALC_CONDUCTIVITY, CALC_VISCOSITY; int GR_freq_in_g; /* runtime internal state */ int t_in_g, freedom; Temperature desired_T, actual_T; Gr GR[1]={0}; Preliminary preliminary={0}; Snapshot final_avg_start={0}; Property final={0};