From f1901237be97f46135674445aedce08b01bb099a Mon Sep 17 00:00:00 2001 From: Steven J Plimpton Date: Tue, 16 Jan 2018 15:49:16 -0700 Subject: [PATCH 1/3] small changes to recent PR to standardize with other npair styles --- src/npair_halffull_newtoff.cpp | 14 +++++++++++--- 1 file changed, 11 insertions(+), 3 deletions(-) diff --git a/src/npair_halffull_newtoff.cpp b/src/npair_halffull_newtoff.cpp index 9d5a15316b..27edb8aa56 100644 --- a/src/npair_halffull_newtoff.cpp +++ b/src/npair_halffull_newtoff.cpp @@ -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 +81,13 @@ 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) { + int num = 0; + for (i = 0; i < inum; i++) + if (ilist[i] < nlocal) num++; + else break; + list->inum = num; + list->gnum = inum - num; + } } From 0c8af0704e7a63e050605243885c29212b3eaff5 Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Tue, 16 Jan 2018 16:43:25 -0700 Subject: [PATCH 2/3] Tweak to npair_halffull_newtoff.cpp --- src/npair_halffull_newtoff.cpp | 9 +-------- 1 file changed, 1 insertion(+), 8 deletions(-) diff --git a/src/npair_halffull_newtoff.cpp b/src/npair_halffull_newtoff.cpp index 27edb8aa56..84816f07b2 100644 --- a/src/npair_halffull_newtoff.cpp +++ b/src/npair_halffull_newtoff.cpp @@ -82,12 +82,5 @@ void NPairHalffullNewtoff::build(NeighList *list) } list->inum = inum; - if (list->ghost) { - int num = 0; - for (i = 0; i < inum; i++) - if (ilist[i] < nlocal) num++; - else break; - list->inum = num; - list->gnum = inum - num; - } + if (list->ghost) list->gnum = list->listfull->gnum; } From 1b91c0eab019ae10238440f51fc23ba41b012960 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Tue, 16 Jan 2018 21:01:25 -0500 Subject: [PATCH 3/3] fix typo in docs resulting in broken link --- doc/src/Section_commands.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/src/Section_commands.txt b/doc/src/Section_commands.txt index 131432b9d0..35fe153473 100644 --- a/doc/src/Section_commands.txt +++ b/doc/src/Section_commands.txt @@ -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,