fix up change_box and displace_atoms lost atoms error message (48b7b7d7) · Commits · 郑智淋 / lammps

src/change_box.cpp

+6 −6

Original line number	Diff line number	Diff line
		@@ -26,6 +26,8 @@
		#include "group.h"
		#include "error.h"
		#include "force.h"
		#include "utils.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;

		@@ -388,12 +390,10 @@ void ChangeBox::command(int narg, char **arg)
		bigint natoms;
		bigint nblocal = atom->nlocal;
		MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
		if (natoms != atom->natoms && comm->me == 0) {
		char str[128];
		sprintf(str,"Lost atoms via change_box: original " BIGINT_FORMAT
		" current " BIGINT_FORMAT,atom->natoms,natoms);
		error->warning(FLERR,str);
		}
		if (natoms != atom->natoms && comm->me == 0)
		error->warning(FLERR,fmt::format("Lost atoms via change_box: "
		"original {} current {}",
		atom->natoms,natoms));
		}

		/* ----------------------------------------------------------------------

+5 −6

Original line number	Diff line number	Diff line
		@@ -34,6 +34,7 @@
		#include "math_extra.h"
		#include "memory.h"
		#include "error.h"
		#include "fmt/format.h"

		using namespace LAMMPS_NS;
		using namespace MathConst;
		@@ -353,12 +354,10 @@ void DisplaceAtoms::command(int narg, char **arg)
		bigint natoms;
		bigint nblocal = atom->nlocal;
		MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
		if (natoms != atom->natoms && comm->me == 0) {
		char str[128];
		sprintf(str,"Lost atoms via displace_atoms: original " BIGINT_FORMAT
		" current " BIGINT_FORMAT,atom->natoms,natoms);
		error->warning(FLERR,str);
		}
		if (natoms != atom->natoms && comm->me == 0)
		error->warning(FLERR,fmt::format("Lost atoms via displace_atoms: "
		"original {} current {}",
		atom->natoms,natoms);
		}

		/* ----------------------------------------------------------------------