added postproc stuff, sic mods (today i was a lazy ass!)
[physik/posic.git] / moldyn.c
index 7d27965..a310e91 100644 (file)
--- a/moldyn.c
+++ b/moldyn.c
@@ -24,6 +24,9 @@ int moldyn_init(t_moldyn *moldyn,int argc,char **argv) {
 
        memset(moldyn,0,sizeof(t_moldyn));
 
+       moldyn->argc=argc;
+       moldyn->args=argv;
+
        rand_init(&(moldyn->random),NULL,1);
        moldyn->random.status|=RAND_STAT_VERBOSE;
 
@@ -1483,7 +1486,7 @@ return 0;
        printf("\rsched:%d, steps:%d, T:%3.1f/%3.1f P:%4.1f/%4.1f V:%6.1f",
               sched->count,i,
               moldyn->t,moldyn->t_avg,
-              moldyn->p_avg/BAR,moldyn->p/BAR,
+              moldyn->p_avg/BAR,moldyn->gp_avg/BAR,
               moldyn->volume);
        fflush(stdout);
                }