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pppm_cg.h
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pppm_cg.h

/* ----------------------------------------------------------------------
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 KSPACE_CLASS
KSpaceStyle(pppm/cg,PPPMCG)
#else
#ifndef LMP_PPPM_CG_H
#define LMP_PPPM_CG_H
#include "pppm.h"
namespace LAMMPS_NS {
class PPPMCG : public PPPM {
public:
PPPMCG(class LAMMPS *, int, char **);
virtual ~PPPMCG();
virtual void compute(int eflag, int vflag);
virtual double memory_usage();
protected:
int num_charged;
int *is_charged;
double smallq;
virtual void particle_map();
virtual void make_rho();
virtual void fieldforce();
virtual void slabcorr(int);
};
}
#endif
#endif

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