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pppm_tip4p.h
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Sun, Jul 21, 15:03

pppm_tip4p.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/tip4p,PPPMTIP4P)
#else
#ifndef LMP_PPPM_TIP4P_H
#define LMP_PPPM_TIP4P_H
#include "pppm.h"
namespace LAMMPS_NS {
class PPPMTIP4P : public PPPM {
public:
PPPMTIP4P(class LAMMPS *, int, char **);
virtual ~PPPMTIP4P () {};
void init();
protected:
virtual void particle_map();
virtual void make_rho();
virtual void fieldforce();
private:
void find_M(int, int &, int &, double *);
};
}
#endif
#endif

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