From f46eb9dedb3d613aa5cd8eb9bf80ea7ec509ea2a Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Tue, 5 Jun 2012 23:48:09 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8225
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/update.cpp | 19 ++++++++++++++-----
src/update.h | 1 +
2 files changed, 15 insertions(+), 5 deletions(-)
diff --git a/src/update.cpp b/src/update.cpp
index e2132cecfb..d1f084f91f 100644
--- a/src/update.cpp
+++ b/src/update.cpp
@@ -344,7 +344,18 @@ void Update::create_minimize(int narg, char **arg)
}
/* ----------------------------------------------------------------------
- reset timestep from input script
+ reset timestep as called from input script
+------------------------------------------------------------------------- */
+
+void Update::reset_timestep(int narg, char **arg)
+{
+ if (narg != 1) error->all(FLERR,"Illegal reset_timestep command");
+ bigint newstep = ATOBIGINT(arg[0]);
+ reset_timestep(newstep);
+}
+
+/* ----------------------------------------------------------------------
+ reset timestep
do not allow dump files or a restart to be defined
do not allow any timestep-dependent fixes to be defined
do not allow any dynamic regions to be defined
@@ -354,10 +365,8 @@ void Update::create_minimize(int narg, char **arg)
clear timestep list of computes that store future invocation times
------------------------------------------------------------------------- */
-void Update::reset_timestep(int narg, char **arg)
+void Update::reset_timestep(bigint newstep)
{
- if (narg != 1) error->all(FLERR,"Illegal reset_timestep command");
-
for (int i = 0; i < output->ndump; i++)
if (output->last_dump[i] >= 0)
error->all(FLERR,
@@ -389,7 +398,7 @@ void Update::reset_timestep(int narg, char **arg)
for (int i = 0; i < modify->ncompute; i++)
if (modify->compute[i]->timeflag) modify->compute[i]->clearstep();
- ntimestep = ATOBIGINT(arg[0]);
+ ntimestep = newstep;
if (ntimestep < 0) error->all(FLERR,"Timestep must be >= 0");
if (ntimestep > MAXBIGINT) error->all(FLERR,"Too big a timestep");
}
diff --git a/src/update.h b/src/update.h
index 36b27f22a6..9f9e1388c3 100644
--- a/src/update.h
+++ b/src/update.h
@@ -51,6 +51,7 @@ class Update : protected Pointers {
void create_integrate(int, char **, char *);
void create_minimize(int, char **);
void reset_timestep(int, char **);
+ void reset_timestep(bigint);
bigint memory_usage();
private:
--
GitLab