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moldyn compiles now .... now go to example sic code!
author
hackbard
<hackbard>
Tue, 28 Nov 2006 13:34:08 +0000
(13:34 +0000)
committer
hackbard
<hackbard>
Tue, 28 Nov 2006 13:34:08 +0000
(13:34 +0000)
moldyn.c
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diff --git
a/moldyn.c
b/moldyn.c
index
00a9ed9
..
509a45d
100644
(file)
--- a/
moldyn.c
+++ b/
moldyn.c
@@
-590,11
+590,6
@@
int moldyn_integrate(t_moldyn *moldyn) {
s=moldyn->swrite;
v=moldyn->vwrite;
s=moldyn->swrite;
v=moldyn->vwrite;
- if(!(moldyn->lvstat&MOLDYN_LVSTAT_INITIALIZED)) {
- printf("[moldyn] warning, lv system not initialized\n");
- return -1;
- }
-
/* sqaure of some variables */
moldyn->tau_square=moldyn->tau*moldyn->tau;
moldyn->cutoff_square=moldyn->cutoff*moldyn->cutoff;
/* sqaure of some variables */
moldyn->tau_square=moldyn->tau*moldyn->tau;
moldyn->cutoff_square=moldyn->cutoff*moldyn->cutoff;
@@
-667,6
+662,8
@@
int moldyn_integrate(t_moldyn *moldyn) {
if(schedule->hook)
schedule->hook(moldyn,schedule->hook_params);
if(schedule->hook)
schedule->hook(moldyn,schedule->hook_params);
+ }
+
return 0;
}
return 0;
}