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[physik/posic.git]
/
moldyn.c
diff --git
a/moldyn.c
b/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));
memset(moldyn,0,sizeof(t_moldyn));
+ moldyn->argc=argc;
+ moldyn->args=argv;
+
rand_init(&(moldyn->random),NULL,1);
moldyn->random.status|=RAND_STAT_VERBOSE;
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,
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);
}
moldyn->volume);
fflush(stdout);
}