Only include ghosts for newton off, since this style exists as a standalone... (24f1889b) · Commits · 郑智淋 / lammps

src/npair_halffull_newton.cpp

+3 −6

Original line number	Diff line number	Diff line
		@@ -32,8 +32,6 @@ NPairHalffullNewton::NPairHalffullNewton(LAMMPS *lmp) : NPair(lmp) {}
		pair stored once if i,j are both owned and i < j
		if j is ghost, only store if j coords are "above and to the right" of i
		works if full list is a skip list
		works for owned (non-ghost) list, also for ghost list
		if ghost, also store neighbors of ghost atoms & set inum,gnum correctly
		------------------------------------------------------------------------- */

		void NPairHalffullNewton::build(NeighList *list)
		@@ -54,8 +52,8 @@ void NPairHalffullNewton::build(NeighList *list)
		int *numneigh_full = list->listfull->numneigh;
		int **firstneigh_full = list->listfull->firstneigh;
		int inum_full = list->listfull->inum;
		if (list->ghost) inum_full += list->listfull->gnum;

		int inum = 0;
		ipage->reset();

		// loop over parent full list
		@@ -89,7 +87,7 @@ void NPairHalffullNewton::build(NeighList *list)
		neighptr[n++] = joriginal;
		}

		ilist[ii] = i;
		ilist[inum++] = i;
		firstneigh[i] = neighptr;
		numneigh[i] = n;
		ipage->vgot(n);
		@@ -97,6 +95,5 @@ void NPairHalffullNewton::build(NeighList *list)
		error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
		}

		list->inum = list->listfull->inum;
		list->gnum = list->listfull->gnum;
		list->inum = inum;
		}

+0 −10

Original line number	Diff line number	Diff line
		@@ -23,16 +23,6 @@ NPairStyle(halffull/newton/skip,
		NP_HALF_FULL \| NP_NEWTON \| NP_HALF \| NP_NSQ \| NP_BIN \| NP_MULTI \|
		NP_ORTHO \| NP_TRI \| NP_SKIP)

		NPairStyle(halffull/newton/ghost,
		NPairHalffullNewton,
		NP_HALF_FULL \| NP_NEWTON \| NP_HALF \| NP_NSQ \| NP_BIN \| NP_MULTI \|
		NP_ORTHO \| NP_TRI \| NP_GHOST)

		NPairStyle(halffull/newton/skip/ghost,
		NPairHalffullNewton,
		NP_HALF_FULL \| NP_NEWTON \| NP_HALF \| NP_NSQ \| NP_BIN \| NP_MULTI \|
		NP_ORTHO \| NP_TRI \| NP_SKIP \| NP_GHOST)

		#else

		#ifndef LMP_NPAIR_HALFFULL_NEWTON_H