53 lines
1.5 KiB
C++
53 lines
1.5 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifdef IMPROPER_CLASS
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ImproperStyle(fourier,ImproperFourier)
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#else
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#ifndef LMP_IMPROPER_FOURIER_H
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#define LMP_IMPROPER_FOURIER_H
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#include <cstdio>
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#include "improper.h"
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namespace LAMMPS_NS {
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class ImproperFourier : public Improper {
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public:
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ImproperFourier(class LAMMPS *);
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~ImproperFourier();
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void compute(int, int);
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void coeff(int, char **);
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void write_restart(FILE *);
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void read_restart(FILE *);
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void write_data(FILE *);
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protected:
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double *k, *C0, *C1, *C2;
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int *all;
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void addone(const int &i1,const int &i2,const int &i3,const int &i4,
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const int &type,const int &evflag,const int &eflag,
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const double &vb1x, const double &vb1y, const double &vb1z,
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const double &vb2x, const double &vb2y, const double &vb2z,
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const double &vb3x, const double &vb3y, const double &vb3z);
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void allocate();
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};
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}
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#endif
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#endif
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