git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1119 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/integrate.cpp

@@ -0,0 +1,53 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under 
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#include "stdlib.h"
+#include "integrate.h"
+#include "compute.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+Integrate::Integrate(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
+{
+  elist = vlist = NULL;
+}
+
+/* ---------------------------------------------------------------------- */
+
+Integrate::~Integrate()
+{
+  delete [] elist;
+  delete [] vlist;
+}
+
+/* ----------------------------------------------------------------------
+   set eflag if a pe compute is called this timestep
+   set vflag if a pressure compute is called this timestep
+------------------------------------------------------------------------- */
+
+void Integrate::ev_set(int ntimestep)
+{
+  int i;
+
+  eflag = 0;
+  for (i = 0; i < nelist; i++)
+    if (elist[i]->match_step(ntimestep)) break;
+  if (i < nelist) eflag = 1;
+
+  vflag = 0;
+  for (i = 0; i < nvlist; i++)
+    if (vlist[i]->match_step(ntimestep)) break;
+  if (i < nvlist) vflag = virial_style;
+}