From dea8d592dad215fb4e03405b39a5bcf7e69387fa Mon Sep 17 00:00:00 2001
From: Stan Moore <stamoor@sandia.gov>
Date: Fri, 12 Jan 2018 15:51:54 -0700
Subject: [PATCH] Optimize npair_halffull styles; the number of i atoms,
whether owned or ghost, must match between the child half list and parent
full list
---
src/npair_halffull_newtoff.cpp | 14 +++-----------
src/npair_halffull_newton.cpp | 14 +++-----------
2 files changed, 6 insertions(+), 22 deletions(-)
diff --git a/src/npair_halffull_newtoff.cpp b/src/npair_halffull_newtoff.cpp
index da5f6d226c..dc8fff2884 100644
--- a/src/npair_halffull_newtoff.cpp
+++ b/src/npair_halffull_newtoff.cpp
@@ -54,7 +54,6 @@ 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
@@ -75,7 +74,7 @@ void NPairHalffullNewtoff::build(NeighList *list)
if (j > i) neighptr[n++] = joriginal;
}
- ilist[inum++] = i;
+ ilist[ii] = i;
firstneigh[i] = neighptr;
numneigh[i] = n;
ipage->vgot(n);
@@ -83,13 +82,6 @@ void NPairHalffullNewtoff::build(NeighList *list)
error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
}
- 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;
- }
+ list->inum = list->listfull->inum;
+ list->gnum = list->listfull->gnum;
}
diff --git a/src/npair_halffull_newton.cpp b/src/npair_halffull_newton.cpp
index d6de8a3766..50c5fd42f2 100644
--- a/src/npair_halffull_newton.cpp
+++ b/src/npair_halffull_newton.cpp
@@ -56,7 +56,6 @@ void NPairHalffullNewton::build(NeighList *list)
int inum_full = list->listfull->inum;
if (list->ghost) inum_full += list->listfull->gnum;
- int inum = 0;
ipage->reset();
// loop over parent full list
@@ -90,7 +89,7 @@ void NPairHalffullNewton::build(NeighList *list)
neighptr[n++] = joriginal;
}
- ilist[inum++] = i;
+ ilist[ii] = i;
firstneigh[i] = neighptr;
numneigh[i] = n;
ipage->vgot(n);
@@ -98,13 +97,6 @@ void NPairHalffullNewton::build(NeighList *list)
error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
}
- 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;
- }
+ list->inum = list->listfull->inum;
+ list->gnum = list->listfull->gnum;
}
--
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