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Hold unique_ptr for interaction_const in forcerec
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
partition.cpp
diff --git
a/src/gromacs/domdec/partition.cpp
b/src/gromacs/domdec/partition.cpp
index 0696694f6c9438db07dce2874b06c30be6bc8378..c093a39d42527753e36f9d6fde4db71924d5594b 100644
(file)
--- a/
src/gromacs/domdec/partition.cpp
+++ b/
src/gromacs/domdec/partition.cpp
@@
-3283,7
+3283,7
@@
void dd_partition_system(FILE* fplog,
{
/* Send the charges and/or c6/sigmas to our PME only node */
gmx_pme_send_parameters(cr,
- fr->ic,
+ fr->ic
.get()
,
mdatoms->nChargePerturbed != 0,
mdatoms->nTypePerturbed != 0,
mdatoms->chargeA,