From 062a3575b6c318135bfb16604412e220b27c4dba Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 15 Jul 2015 16:53:34 +0000
Subject: [PATCH] Made small change to how fix_species affects neighbor
frequency
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13597 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/USER-REAXC/fix_reaxc_species.cpp | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/USER-REAXC/fix_reaxc_species.cpp b/src/USER-REAXC/fix_reaxc_species.cpp
index 8546ac54c3..c223859b25 100644
--- a/src/USER-REAXC/fix_reaxc_species.cpp
+++ b/src/USER-REAXC/fix_reaxc_species.cpp
@@ -77,7 +77,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
// but may be updated when no averaging is performed.
int rene_flag = 0;
- if (nfreq % neighbor->every != 0 || neighbor->every < nevery * nrepeat) {
+ if (nevery * nrepeat != 1 && (nfreq % neighbor->every != 0 || neighbor->every < nevery * nrepeat)) {
int newneighborevery = nevery * nrepeat;
while (nfreq % newneighborevery != 0 && newneighborevery <= nfreq / 2)
newneighborevery++;
@@ -89,7 +89,7 @@ FixReaxCSpecies::FixReaxCSpecies(LAMMPS *lmp, int narg, char **arg) :
rene_flag = 1;
}
- if (neighbor->delay != 0 || neighbor->dist_check != 0) {
+ if (nevery * nrepeat != 1 && (neighbor->delay != 0 || neighbor->dist_check != 0)) {
neighbor->delay = 0;
neighbor->dist_check = 0;
rene_flag = 1;
--
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