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pair_lj_charmm_coul_charmm_implicit.h
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Thu, Oct 10, 05:51
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Sat, Oct 12, 05:51 (2 d)
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rLAMMPS lammps
pair_lj_charmm_coul_charmm_implicit.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(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit)
#else
#ifndef LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H
#define LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H
#include "pair_lj_charmm_coul_charmm.h"
namespace LAMMPS_NS {
class PairLJCharmmCoulCharmmImplicit : public PairLJCharmmCoulCharmm {
public:
PairLJCharmmCoulCharmmImplicit(class LAMMPS *);
virtual void compute(int, int);
double single(int, int, int, int, double, double, double, double &);
};
}
#endif
#endif
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