biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ blobdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
raw
| inline |
side by side
Remove charge groups from domdec and localtop
[alexxy/gromacs.git]
/
src
/
gromacs
/
topology
/
topology.cpp
diff --git
a/src/gromacs/topology/topology.cpp
b/src/gromacs/topology/topology.cpp
index e7e7d2eccd91e55dd66944bb245d9646baf51102..ffbc05101197fe8eba61e5851f7c4c603f60d6f8 100644
(file)
--- a/
src/gromacs/topology/topology.cpp
+++ b/
src/gromacs/topology/topology.cpp
@@
-175,7
+175,6
@@
void done_top_mtop(t_topology *top, gmx_mtop_t *mtop)
gmx_localtop_t::gmx_localtop_t()
{
- init_block_null(&cgs);
init_blocka_null(&excls);
init_idef(&idef);
init_atomtypes(&atomtypes);
@@
-186,7
+185,6
@@
gmx_localtop_t::~gmx_localtop_t()
if (!useInDomainDecomp_)
{
done_idef(&idef);
- done_block(&cgs);
done_blocka(&excls);
done_atomtypes(&atomtypes);
}