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Fixed bugs in vsiteN with OpenMP
[alexxy/gromacs.git]
/
include
/
vsite.h
diff --git
a/include/vsite.h
b/include/vsite.h
index edeb426c1c28e3cd0e71b865d266ca722b6c2069..ecff6150064bf654081a0a3635feacd004936e4c 100644
(file)
--- a/
include/vsite.h
+++ b/
include/vsite.h
@@
-131,6
+131,7
@@
gmx_vsite_t *init_vsite(gmx_mtop_t *mtop, t_commrec *cr,
*/
void split_vsites_over_threads(const t_ilist *ilist,
+ const t_iparams *ip,
const t_mdatoms *mdatoms,
gmx_bool bLimitRange,
gmx_vsite_t *vsite);