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Merge pull request #774 from lammps/neigh-tweak

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small changes to recent PR to standardize with other npair styles
This commit is contained in:
Steve Plimpton
2018-01-17 07:33:46 -07:00
committed by GitHub
parent 0cd864134d 1b91c0eab0
commit 480d7dd6ce
2 changed files with 5 additions and 4 deletions
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2
doc/src/Section_commands.txt
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@ -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,

7
src/npair_halffull_newtoff.cpp
View File

@ -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;
}