git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15652 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/imbalance_var.cpp

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+/* ----------------------------------------------------------------------
+   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 <string.h>
+#include "imbalance_var.h"
+#include "atom.h"
+#include "group.h"
+#include "input.h"
+#include "variable.h"
+#include "memory.h"
+#include "error.h"
+
+// DEBUG
+#include "update.h"
+
+using namespace LAMMPS_NS;
+
+/* -------------------------------------------------------------------- */
+
+ImbalanceVar::ImbalanceVar(LAMMPS *lmp) : Imbalance(lmp), name(0) {}
+
+/* -------------------------------------------------------------------- */
+
+ImbalanceVar::~ImbalanceVar()
+{
+  delete [] name;
+}
+
+/* -------------------------------------------------------------------- */
+
+int ImbalanceVar::options(int narg, char **arg)
+{
+  if (narg < 1) error->all(FLERR,"Illegal balance weight command");
+
+  int len = strlen(arg[0]) + 1;
+  name = new char[len];
+  memcpy(name,arg[0],len);
+  init();
+
+  return 1;
+}
+
+/* -------------------------------------------------------------------- */
+
+void ImbalanceVar::init()
+{
+  id = input->variable->find(name);
+  if (id < 0) {
+    error->all(FLERR,"Variable name for balance weight does not exist");
+  } else {
+    if (input->variable->atomstyle(id) == 0)
+      error->all(FLERR,"Variable for balance weight has invalid style");
+  }
+}
+
+/* -------------------------------------------------------------------- */
+
+void ImbalanceVar::compute(double *weight)
+{
+  const int all = group->find("all");
+  if (all < 0) return;
+
+  double *values;
+  const int nlocal = atom->nlocal;
+  memory->create(values,nlocal,"imbalance:values");
+
+  input->variable->compute_atom(id,all,values,1,0);
+  for (int i = 0; i < nlocal; ++i) weight[i] *= values[i];
+
+  memory->destroy(values);
+}
+
+/* -------------------------------------------------------------------- */
+
+void ImbalanceVar::info(FILE *fp)
+{
+  fprintf(fp,"  weight variable: %s\n",name);
+}