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Using force_timeout call instead of throwing error for plumed stop

This commit is contained in:
Gareth Tribello 2019-06-16 17:52:20 +01:00
parent 98d9a9a4d2
commit 75e2981bda
1 changed files with 2 additions and 1 deletions
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3
src/USER-PLUMED/fix_plumed.cpp
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@ -34,6 +34,7 @@
#include "modify.h" #include "modify.h"
#include "pair.h" #include "pair.h"
#include "utils.h" #include "utils.h"
#include "timer.h"
#include "plumed/wrapper/Plumed.h" #include "plumed/wrapper/Plumed.h"
@ -480,7 +481,7 @@ void FixPlumed::post_force(int /* vflag */)
// do the real calculation: // do the real calculation:
p->cmd("performCalc"); p->cmd("performCalc");
if(plumedStopCondition) error->all(FLERR,"received instruction from PLUMED to stop"); if(plumedStopCondition) timer->force_timeout();
// retransform virial to lammps representation and assign it to this // retransform virial to lammps representation and assign it to this
// fix's virial. If the energy is biased, Plumed is giving back the full // fix's virial. If the energy is biased, Plumed is giving back the full