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pair_mdpd_rhosum.h
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Wed, May 29, 03:11

pair_mdpd_rhosum.h

/* -*- 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(mdpd/rhosum,PairMDPDRhoSum)
#else
#ifndef LMP_PAIR_MDPD_RHOSUM_H
#define LMP_PAIR_MDPD_RHOSUM_H
#include "pair.h"
namespace LAMMPS_NS {
class PairMDPDRhoSum : public Pair {
public:
PairMDPDRhoSum(class LAMMPS *);
virtual ~PairMDPDRhoSum();
void init_style();
virtual void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
virtual double init_one(int, int);
virtual double single(int, int, int, int, double, double, double, double &);
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
protected:
double **cut;
int first;
void allocate();
};
}
#endif
#endif

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