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average calc moved, more fscking virial testing
[physik/posic.git]
/
sic.c
diff --git
a/sic.c
b/sic.c
index
f8e6ce1
..
ba7de3d
100644
(file)
--- a/
sic.c
+++ b/
sic.c
@@
-289,7
+289,7
@@
int main(int argc,char **argv) {
set_pressure(&md,BAR);
/* set amount of steps to skip before average calc */
- set_
mean
_skip(&md,1000);
+ set_
avg
_skip(&md,1000);
/* set p/t scaling */
//set_pt_scale(&md,0,0,T_SCALE_BERENDSEN,100.0);