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Use unique_ptr in nonbonded_verlet_t
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
partition.cpp
diff --git
a/src/gromacs/domdec/partition.cpp
b/src/gromacs/domdec/partition.cpp
index 02b0d214f5bb10885bb4608692e58af482475066..7df2f9cf2bc9e4b551c3137dd5ea0284f5c9589d 100644
(file)
--- a/
src/gromacs/domdec/partition.cpp
+++ b/
src/gromacs/domdec/partition.cpp
@@
-3415,7
+3415,7
@@
void dd_partition_system(FILE *fplog,
case ecutsVERLET:
set_zones_size(dd, state_local->box, &ddbox, 0, 1, ncg_moved);
- nbnxn_put_on_grid(fr->nbv, state_local->box,
+ nbnxn_put_on_grid(fr->nbv
.get()
, state_local->box,
0,
comm->zones.size[0].bb_x0,
comm->zones.size[0].bb_x1,