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avgrst fix + introduced px,py,pz into moldyn (for future use)
[physik/posic.git]
/
mdrun.c
diff --git
a/mdrun.c
b/mdrun.c
index
8c5cf71
..
31abd1c
100644
(file)
--- a/
mdrun.c
+++ b/
mdrun.c
@@
-630,9
+630,9
@@
int chsattr(t_moldyn *moldyn,t_mdrun *mdrun) {
}
if(csp->type&CHSATTR_AVGRST) {
if(csp->avgrst)
}
if(csp->type&CHSATTR_AVGRST) {
if(csp->avgrst)
- mdrun->sattr|=
CH
SATTR_AVGRST;
+ mdrun->sattr|=SATTR_AVGRST;
else
else
- mdrun->sattr&=(~(
CH
SATTR_AVGRST));
+ mdrun->sattr&=(~(SATTR_AVGRST));
}
if(csp->type&CHSATTR_RSTEPS) {
mdrun->relax_steps=csp->rsteps;
}
if(csp->type&CHSATTR_RSTEPS) {
mdrun->relax_steps=csp->rsteps;