From b252866393ed1a39e73d42e73b0f03aa39517f48 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 21 Feb 2018 10:17:00 +0100
Subject: [PATCH] sync fix temp/rescale to upstream
---
src/fix_temp_rescale.cpp | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/src/fix_temp_rescale.cpp b/src/fix_temp_rescale.cpp
index cc16a9a6e6..52e2da7b3d 100644
--- a/src/fix_temp_rescale.cpp
+++ b/src/fix_temp_rescale.cpp
@@ -37,18 +37,18 @@ enum{CONSTANT,EQUAL};
/* ---------------------------------------------------------------------- */
FixTempRescale::FixTempRescale(LAMMPS *lmp, int narg, char **arg) :
- Fix(lmp, narg, arg)
+ Fix(lmp, narg, arg),
+ tstr(NULL), id_temp(NULL), tflag(0)
{
if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command");
- dynamic_group_allow = 1;
-
nevery = force->inumeric(FLERR,arg[3]);
if (nevery <= 0) error->all(FLERR,"Illegal fix temp/rescale command");
scalar_flag = 1;
global_freq = nevery;
extscalar = 1;
+ dynamic_group_allow = 1;
tstr = NULL;
if (strstr(arg[4],"v_") == arg[4]) {
@@ -140,7 +140,7 @@ void FixTempRescale::end_of_step()
if (temperature->dof < 1) return;
- // protect against division by zero.
+ // protect against division by zero
if (t_current == 0.0)
error->all(FLERR,"Computed temperature for fix temp/rescale cannot be 0.0");
--
GitLab