must not try to delete computes if they have not been created and their ids not yet set (f89a0f9f) · Commits · 郑智淋 / lammps

src/reset_mol_ids.cpp

+5 −2

Original line number	Diff line number	Diff line
		@@ -41,14 +41,17 @@ ResetMolIDs::ResetMolIDs(LAMMPS *lmp) : Pointers(lmp) {
		compressflag = 1;
		singleflag = 0;
		offset = -1;

		idfrag.clear();
		idchunk.clear();
		}

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

		ResetMolIDs::~ResetMolIDs()
		{
		modify->delete_compute(idfrag);
		if (compressflag) modify->delete_compute(idchunk);
		if (!idfrag.empty()) modify->delete_compute(idfrag);
		if (compressflag && !idchunk.empty()) modify->delete_compute(idchunk);
		}

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