Fixed groups not working (72891aac) · Commits · 郑智淋 / lammps

src/fix_num_diff.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -79,7 +79,7 @@ FixNumDiff::FixNumDiff(LAMMPS lmp, int narg, char *arg) :

		char *newarg = new char[10];
		newarg[0] = id_pe;
		newarg[1] = group->names[igroup];
		newarg[1] = (char *) "all";
		newarg[2] = (char *) "pe";
		newarg[3] = (char *) "pair";
		newarg[4] = (char *) "bond";
		@@ -208,7 +208,7 @@ void FixNumDiff::calculate_forces(int vflag)

		for (bigint i=1; i<=natoms; i++){
		local_idx = atom->map(i);
		if (mask[local_idx] && groupbit) flag = 1;
		if (mask[local_idx] & groupbit) flag = 1;
		else flag = 0;
		MPI_Allreduce(&flag, &allflag,1, MPI_INT, MPI_SUM,world);
		if (!allflag) continue;