biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
| inline |
side by side
(parent:
471518d
)
Fix LINCS bug from recent commit 211039fc
author
Berk Hess
<hess@kth.se>
Thu, 24 Jan 2019 21:27:47 +0000
(22:27 +0100)
committer
Paul Bauer
<paul.bauer.q@gmail.com>
Fri, 25 Jan 2019 08:51:11 +0000
(09:51 +0100)
Change-Id: Ibdee49d48d609dd6a36f1941046efecb96e87d66
src/gromacs/mdlib/lincs.cpp
patch
|
blob
|
history
diff --git
a/src/gromacs/mdlib/lincs.cpp
b/src/gromacs/mdlib/lincs.cpp
index 760bc6a2121f124e2d6d1084ccb440d6bce4611e..44f1415c0778ea0c2315bedaddc1784723d8ff85 100644
(file)
--- a/
src/gromacs/mdlib/lincs.cpp
+++ b/
src/gromacs/mdlib/lincs.cpp
@@
-1955,7
+1955,7
@@
void set_lincs(const t_idef &idef,
li->atoms.resize(numEntries);
li->blc.resize(numEntries);
li->blc1.resize(numEntries);
- li->blnr.resize(numEntries);
+ li->blnr.resize(numEntries
+ 1
);
li->bllen.resize(numEntries);
li->tmpv.resizeWithPadding(numEntries);
if (DOMAINDECOMP(cr))