git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1091 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/input.cpp

@@ -1039,9 +1039,7 @@ void Input::region()
 
 void Input::reset_timestep()
 {
-  if (narg != 1) error->all("Illegal reset_timestep command");
+  update->reset_timestep(narg,arg);
-  update->ntimestep = atoi(arg[0]);
-  if (update->ntimestep < 0) error->all("Timestep must be >= 0");
 }
 
 /* ---------------------------------------------------------------------- */

src/output.cpp

@@ -79,6 +79,7 @@ Output::Output(LAMMPS *lmp) : Pointers(lmp)
   restart = NULL;
   restart1 = restart2 = NULL;
   restart_every = 0;
+  last_restart = -1;
 }
 
 /* ----------------------------------------------------------------------
@@ -357,6 +358,7 @@ void Output::create_restart(int narg, char **arg)
   delete [] restart2;
   restart = NULL;
   restart1 = restart2 = NULL;
+  last_restart = -1;
 
   restart_every = atoi(arg[0]);
   if (restart_every == 0) {
@@ -365,7 +367,6 @@ void Output::create_restart(int narg, char **arg)
   }
 
   restart = new WriteRestart(lmp);
-  last_restart = -1;
 
   int n = strlen(arg[1]) + 3;
   restart1 = new char[n];

src/update.cpp

@@ -12,6 +12,7 @@
 ------------------------------------------------------------------------- */
 
 #include "string.h"
+#include "stdlib.h"
 #include "update.h"
 #include "neighbor.h"
 #include "force.h"
@@ -179,6 +180,25 @@ void Update::create_minimize(int narg, char **arg)
   strcpy(minimize_style,arg[0]);
 }
 
+/* ----------------------------------------------------------------------
+   reset timestep from input script
+   do not allow dump files or a restart to be defined
+------------------------------------------------------------------------- */
+
+void Update::reset_timestep(int narg, char **arg)
+{
+  if (narg != 1) error->all("Illegal reset_timestep command");
+
+  for (int i = 0; i < output->ndump; i++)
+    if (output->last_dump[i] >= 0)
+      error->all("Cannot reset timestep with dump file already written to");
+  if (output->restart && output->last_restart >= 0)
+    error->all("Cannot reset timestep with restart file already written");
+
+  ntimestep = atoi(arg[0]);
+  if (ntimestep < 0) error->all("Timestep must be >= 0");
+}
+
 /* ----------------------------------------------------------------------
    memory usage of update and integrate/minimize
 ------------------------------------------------------------------------- */

src/update.h

@@ -44,6 +44,7 @@ class Update : protected Pointers {
   void set_units(const char *);
   void create_integrate(int, char **);
   void create_minimize(int, char **);
+  void reset_timestep(int, char **);
   double memory_usage();
 };