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
Replace DOMAINDECOMP macro by a renamed function
[alexxy/gromacs.git]
/
src
/
gromacs
/
ewald
/
pme_redistribute.cpp
diff --git
a/src/gromacs/ewald/pme_redistribute.cpp
b/src/gromacs/ewald/pme_redistribute.cpp
index 9fdea71a55f7cf84e3257e5d2c8e4936c1763759..96c994b578733cf89f0bfb82e18e4f20d40ea95f 100644
(file)
--- a/
src/gromacs/ewald/pme_redistribute.cpp
+++ b/
src/gromacs/ewald/pme_redistribute.cpp
@@
-497,7
+497,7
@@
void do_redist_pos_coeffs(struct gmx_pme_t* pme,
atc.pd.resize(xRef.size());
pme_calc_pidx_wrapper(xRef, pme->recipbox, &atc);
/* Redistribute x (only once) and qA/c6A or qB/c6B */
- if (
DOMAINDECOMP(
cr))
+ if (
haveDDAtomOrdering(*
cr))
{
dd_pmeredist_pos_coeffs(pme, bFirst, xRef, param_d, &atc);
}