(a18390d6) · Commits · 郑智淋 / lammps

src/MC/fix_gcmc.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -493,8 +493,8 @@ void FixGCMC::attempt_atomic_deletion()
		MPI_Allreduce(&success,&success_all,1,MPI_INT,MPI_MAX,world);

		if (success_all) {
		if (atom->tag_enable) {
		atom->natoms--;
		if (atom->tag_enable) {
		if (atom->map_style) atom->map_init();
		}
		atom->nghost = 0;
		@@ -560,8 +560,8 @@ void FixGCMC::attempt_atomic_insertion()
		MPI_Allreduce(&success,&success_all,1,MPI_INT,MPI_MAX,world);

		if (success_all) {
		if (atom->tag_enable) {
		atom->natoms++;
		if (atom->tag_enable) {
		atom->tag_extend();
		if (atom->map_style) atom->map_init();
		}
		@@ -737,7 +737,7 @@ void FixGCMC::attempt_molecule_deletion()
		} else i++;
		}
		atom->natoms -= natoms_per_molecule;
		atom->map_init();
		if (atom->map_style) atom->map_init();
		atom->nghost = 0;
		comm->borders();
		update_gas_atoms_list();

+0 −1

Original line number	Diff line number	Diff line
		@@ -94,7 +94,6 @@ FixPOEMS::FixPOEMS(LAMMPS lmp, int narg, char *arg) :
		int mapflag = 0;
		if (atom->map_style == 0) {
		mapflag = 1;
		atom->map_style = 1;
		atom->map_init();
		atom->map_set();
		}