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Use unique_ptr in nonbonded_verlet_t
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
runner.cpp
diff --git
a/src/gromacs/mdrun/runner.cpp
b/src/gromacs/mdrun/runner.cpp
index 3239a01f0b0e169b42c7f488a1ae96cf3723b53c..df8da62702851906590509c380fb0a288c0e24ee 100644
(file)
--- a/
src/gromacs/mdrun/runner.cpp
+++ b/
src/gromacs/mdrun/runner.cpp
@@
-1564,7
+1564,7
@@
int Mdrunner::mdrunner()
*/
finish_run(fplog, mdlog, cr,
inputrec, nrnb, wcycle, walltime_accounting,
- fr ? fr->nbv : nullptr,
+ fr ? fr->nbv
.get()
: nullptr,
pmedata,
EI_DYNAMICS(inputrec->eI) && !isMultiSim(ms));