Merge pull request #774 from lammps/neigh-tweak (480d7dd6) · Commits · 郑智淋 / lammps

doc/src/Section_commands.txt

+1 −1

Original line number	Diff line number	Diff line
		@@ -1089,7 +1089,7 @@ package"_Section_start.html#start_3.
		"smd/triangulated/surface"_pair_smd_triangulated_surface.html,
		"smd/ulsph"_pair_smd_ulsph.html,
		"smtbq"_pair_smtbq.html,
		"snap (k)"_pair_sap.html,
		"snap (k)"_pair_snap.html,
		"sph/heatconduction"_pair_sph_heatconduction.html,
		"sph/idealgas"_pair_sph_idealgas.html,
		"sph/lj"_pair_sph_lj.html,

+4 −3

Original line number	Diff line number	Diff line
		@@ -52,6 +52,7 @@ void NPairHalffullNewtoff::build(NeighList *list)
		int inum_full = list->listfull->inum;
		if (list->ghost) inum_full += list->listfull->gnum;

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

		// loop over atoms in full list
		@@ -72,7 +73,7 @@ void NPairHalffullNewtoff::build(NeighList *list)
		if (j > i) neighptr[n++] = joriginal;
		}

		ilist[ii] = i;
		ilist[inum++] = i;
		firstneigh[i] = neighptr;
		numneigh[i] = n;
		ipage->vgot(n);
		@@ -80,6 +81,6 @@ void NPairHalffullNewtoff::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;
		if (list->ghost) list->gnum = list->listfull->gnum;
		}