From 1eb9edaaeae0f2a94871058de15db451af99bfb9 Mon Sep 17 00:00:00 2001
From: Abdullah Alperen <alperena@msu.edu>
Date: Tue, 27 Nov 2018 12:09:08 -0500
Subject: [PATCH] PuReMD: fix a minor bug regarding Init_Forces
---
PuReMD/src/forces.c | 3 +--
1 file changed, 1 insertion(+), 2 deletions(-)
diff --git a/PuReMD/src/forces.c b/PuReMD/src/forces.c
index eabda507..fa6abb60 100644
--- a/PuReMD/src/forces.c
+++ b/PuReMD/src/forces.c
@@ -558,8 +558,7 @@ void Init_Forces( reax_system *system, control_params *control,
&& (j < system->n || atom_i->orig_id < atom_j->orig_id))
|| far_nbrs->format == FULL_LIST )
{
- if( j < system->n )
- H->entries[Htop].j = j;
+ H->entries[Htop].j = j;
if ( control->tabulate == 0 )
{
--
GitLab