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
Use constexpr for physical constants and move them into gmx namespace
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
tpi.cpp
diff --git
a/src/gromacs/mdrun/tpi.cpp
b/src/gromacs/mdrun/tpi.cpp
index 2eda48878568839abae065cc5b7b95c190837871..debaef5c311ccf7fef0b26855ead11a1dcccf1f6 100644
(file)
--- a/
src/gromacs/mdrun/tpi.cpp
+++ b/
src/gromacs/mdrun/tpi.cpp
@@
-277,7
+277,7
@@
void LegacySimulator::do_tpi()
}
fprintf(fplog, "\n The temperature for test particle insertion is %.3f K\n\n", temp);
}
- beta = 1.0 / (
BOLTZ
* temp);
+ beta = 1.0 / (
gmx::c_boltz
* temp);
/* Number of insertions per frame */
nsteps = inputrec->nsteps;