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:
2ed67b7
)
Fix time label print in gmx vanhove
author
Berk Hess
<hess@kth.se>
Tue, 1 Nov 2016 11:05:07 +0000
(12:05 +0100)
committer
Berk Hess
<hess@kth.se>
Tue, 1 Nov 2016 11:05:07 +0000
(12:05 +0100)
Change-Id: Ibf668e46622c2739ae44f950d1bbfadbbb67b276
src/gromacs/gmxana/gmx_vanhove.cpp
patch
|
blob
|
history
diff --git
a/src/gromacs/gmxana/gmx_vanhove.cpp
b/src/gromacs/gmxana/gmx_vanhove.cpp
index db3da07cff5eeb9089dbcedaf2d5d5407d39e1ce..0c660cc4b359639c1366d26a0101d917b5321634 100644
(file)
--- a/
src/gromacs/gmxana/gmx_vanhove.cpp
+++ b/
src/gromacs/gmxana/gmx_vanhove.cpp
@@
-229,7
+229,7
@@
int gmx_vanhove(int argc, char *argv[])
dt = (time[nfr-1] - time[0])/(nfr - 1);
/* Some ugly rounding to get nice nice times in the output */
- dt = st
atic_cast<int>((10000.0*dt + 0.5)/10000.0)
;
+ dt = st
d::round(10000.0*dt)/10000.0
;
invbin = 1.0/rbin;