Using force_timeout call instead of throwing error for plumed stop (75e2981b) · Commits · 郑智淋 / lammps

src/USER-PLUMED/fix_plumed.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -34,6 +34,7 @@
		#include "modify.h"
		#include "pair.h"
		#include "utils.h"
		#include "timer.h"

		#include "plumed/wrapper/Plumed.h"

		@@ -480,7 +481,7 @@ void FixPlumed::post_force(int /* vflag */)
		// do the real calculation:
		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
		// fix's virial. If the energy is biased, Plumed is giving back the full