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
Hold unique_ptr for interaction_const in forcerec
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
sim_util.cpp
diff --git
a/src/gromacs/mdlib/sim_util.cpp
b/src/gromacs/mdlib/sim_util.cpp
index a18add27538ca959c091944fd5dba7ea4b036cce..f679912904bb39bb347ec09e02ee43f9f4e32744 100644
(file)
--- a/
src/gromacs/mdlib/sim_util.cpp
+++ b/
src/gromacs/mdlib/sim_util.cpp
@@
-1200,7
+1200,7
@@
void do_force(FILE* fplog,
"forces for");
nonbonded_verlet_t* nbv = fr->nbv.get();
- interaction_const_t* ic = fr->ic;
+ interaction_const_t* ic = fr->ic
.get()
;
gmx::StatePropagatorDataGpu* stateGpu = fr->stateGpu;