git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/update.h

@@ -0,0 +1,54 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   www.cs.sandia.gov/~sjplimp/lammps.html
+   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+
+   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.
+------------------------------------------------------------------------- */
+
+#ifndef UPDATE_H
+#define UPDATE_H
+
+#include "lammps.h"
+
+class Integrate;
+class Min;
+
+class Update : public LAMMPS {
+ public:
+  double dt;                      // timestep
+  double tolerance;               // minimizer tolerance
+  int ntimestep;                  // current step (dynamics or min iter)
+  int nsteps;                     // # of steps to run (dynamics or min iter)
+  int firststep,laststep;         // 1st & last step of this run
+  int beginstep,endstep;          // 1st and last step of multiple runs
+  int first_update;               // 0 before initial update, 1 after
+  int max_eval;                   // max force evaluations for minimizer
+  int whichflag;                  // 0 for time integration, 1 for minimization
+
+  double **f_pair;                // used by pair to compute force & virial
+  int maxpair;
+
+  char *unit_style;
+
+  Integrate *integrate;
+  char *integrate_style;
+
+  Min *minimize;
+  char *minimize_style;
+
+  Update();
+  ~Update();
+  void init();
+  void set_units(char *);
+  void create_integrate(int, char **);
+  void create_minimize(int, char **);
+  int memory_usage();
+};
+
+#endif