git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14771 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MANYBODY/pair_airebo_morse.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 "pair_airebo_morse.h"
+#include "force.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+PairAIREBOMorse::PairAIREBOMorse(LAMMPS *lmp) : PairAIREBO(lmp) {}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairAIREBOMorse::settings(int narg, char **arg)
+{
+  if (narg != 1 && narg != 3) error->all(FLERR,"Illegal pair_style command");
+
+  cutlj = force->numeric(FLERR,arg[0]);
+
+  if (narg == 3) {
+    ljflag = force->inumeric(FLERR,arg[1]);
+    torflag = force->inumeric(FLERR,arg[2]);
+  }
+
+  morseflag = 1;
+}

src/MANYBODY/pair_airebo_morse.h

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+/* -*- c++ -*- ----------------------------------------------------------
+   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.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(airebo/morse,PairAIREBOMorse)
+
+#else
+
+#ifndef LMP_PAIR_AIREBO_MORSE_H
+#define LMP_PAIR_AIREBO_MORSE_H
+
+#include "pair_airebo.h"
+
+namespace LAMMPS_NS {
+
+class PairAIREBOMorse : public PairAIREBO {
+ public:
+  PairAIREBOMorse(class LAMMPS *);
+  void settings(int, char **);
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+*/