changed dump.cpp back to the way it was (8750515c) · Commits · 郑智淋 / lammps

src/dump.cpp

+2 −2

Original line number	Original line	Diff line number	Diff line
	@@ -276,7 +276,7 @@ void Dump::init()

	// preallocation for PBC copies if requested		// preallocation for PBC copies if requested

	if (pbcflag && atom->nmax > maxpbc) pbc_allocate();		if (pbcflag && atom->nlocal > maxpbc) pbc_allocate();
	}		}

	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */
	@@ -374,7 +374,7 @@ void Dump::write()

	if (pbcflag) {		if (pbcflag) {
	int nlocal = atom->nlocal;		int nlocal = atom->nlocal;
	if (atom->nmax > maxpbc) pbc_allocate();		if (nlocal > maxpbc) pbc_allocate();
	if (nlocal) {		if (nlocal) {
	memcpy(&xpbc[0][0],&atom->x[0][0],3nlocalsizeof(double));		memcpy(&xpbc[0][0],&atom->x[0][0],3nlocalsizeof(double));
	memcpy(&vpbc[0][0],&atom->v[0][0],3nlocalsizeof(double));		memcpy(&vpbc[0][0],&atom->v[0][0],3nlocalsizeof(double));