git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1279 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/input.cpp

@@ -450,6 +450,7 @@ int Input::execute_command()
   else if (!strcmp(command,"thermo_modify")) thermo_modify();
   else if (!strcmp(command,"thermo_style")) thermo_style();
   else if (!strcmp(command,"timestep")) timestep();
+  else if (!strcmp(command,"uncompute")) uncompute();
   else if (!strcmp(command,"undump")) undump();
   else if (!strcmp(command,"unfix")) unfix();
   else if (!strcmp(command,"units")) units();
@@ -1122,6 +1123,14 @@ void Input::timestep()
 
 /* ---------------------------------------------------------------------- */
 
+void Input::uncompute()
+{
+  if (narg != 1) error->all("Illegal uncompute command");
+  modify->delete_compute(arg[0]);
+}
+
+/* ---------------------------------------------------------------------- */
+
 void Input::undump()
 {
   if (narg != 1) error->all("Illegal undump command");

src/input.h

@@ -107,6 +107,7 @@ class Input : protected Pointers {
   void thermo_modify();
   void thermo_style();
   void timestep();
+  void uncompute();
   void undump();
   void unfix();
   void units();

src/modify.cpp

@@ -95,6 +95,11 @@ Modify::~Modify()
   memory->sfree(fix);
   memory->sfree(fmask);
 
+  // delete all computes
+
+  for (int i = 0; i < ncompute; i++) delete compute[i];
+  memory->sfree(compute);
+
   delete [] list_initial_integrate;
   delete [] list_pre_exchange;
   delete [] list_pre_neighbor;
@@ -109,15 +114,9 @@ Modify::~Modify()
   delete [] list_min_energy;
 
   delete [] end_of_step_every;
-
   delete [] list_timeflag;
 
   restart_deallocate();
-
-  // delete all computes
-
-  for (int i = 0; i < ncompute; i++) delete compute[i];
-  memory->sfree(compute);
 }
 
 /* ----------------------------------------------------------------------