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

src/fix_print.cpp

@@ -0,0 +1,76 @@
+/* ----------------------------------------------------------------------
+   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.
+------------------------------------------------------------------------- */
+
+#include "stdlib.h"
+#include "string.h"
+#include "fix_print.h"
+#include "update.h"
+#include "input.h"
+#include "variable.h"
+#include "error.h"
+
+#define MAXLINE 1024
+
+/* ---------------------------------------------------------------------- */
+
+FixPrint::FixPrint(int narg, char **arg) : Fix(narg, arg)
+{
+  if (narg != 5) error->all("Illegal fix print command");
+  nevery = atoi(arg[3]);
+  if (nevery <= 0) error->all("Illegal fix print command");
+
+  MPI_Comm_rank(world,&me);
+
+  int n = strlen(arg[4]) + 1;
+  line = new char[n];
+  strcpy(line,arg[4]);
+
+  copy = new char[MAXLINE];
+  work = new char[MAXLINE];
+}
+
+/* ---------------------------------------------------------------------- */
+
+FixPrint::~FixPrint()
+{
+  delete [] line;
+  delete [] copy;
+  delete [] work;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int FixPrint::setmask()
+{
+  int mask = 0;
+  mask |= END_OF_STEP;
+  return mask;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void FixPrint::end_of_step()
+{
+  // make a copy of line to work on
+  // substitute for $ variables (no printing)
+  // append a newline and print final copy
+
+  strcpy(copy,line);
+  input->substitute(copy,0);
+  strcat(copy,"\n");
+
+  if (me == 0) {
+    if (screen) fprintf(screen,copy);
+    if (logfile) fprintf(logfile,copy);
+  }
+}