lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation 
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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(body/nparticle,PairBodyNparticle)

#else

#ifndef LMP_PAIR_BODY_NPARTICLE_H
#define LMP_PAIR_BODY_NPARTICLE_H

#include "pair.h"

namespace LAMMPS_NS {

class PairBodyNparticle : public Pair {
 public:
  PairBodyNparticle(class LAMMPS *);
  ~PairBodyNparticle();
  void compute(int, int);
  void settings(int, char **);
  void coeff(int, char **);
  void init_style();
  double init_one(int, int);

 protected:
  double cut_global;
  double **cut;
  double **epsilon,**sigma;
  double **lj1,**lj2,**lj3,**lj4;

  class AtomVecBody *avec;
  class BodyNparticle *bptr;

  double **discrete;            // list of all sub-particles for all bodies
  int ndiscrete;                // number of discretes in list
  int dmax;                     // allocated size of discrete list
  int *dnum;                    // number of discretes per line, 0 if uninit
  int *dfirst;                  // index of first discrete per each line
  int nmax;                     // allocated size of dnum,dfirst vectors

  void allocate();
  void body2space(int);
};

}

#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.

E: Incorrect args for pair coefficients

Self-explanatory.  Check the input script or data file.

E: Pair body requires atom style body

Self-explanatory.

E: Pair body requires body style nparticle

This pair style is specific to the nparticle body style.

*/