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dihedral.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.
------------------------------------------------------------------------- */
#ifndef DIHEDRAL_H
#define DIHEDRAL_H
#include "stdio.h"
#include "pointers.h"
namespace LAMMPS_NS {
class Dihedral : protected Pointers {
public:
int allocated;
int *setflag;
double energy;
double eng_vdwl,eng_coul;
double virial[6];
double PI;
Dihedral(class LAMMPS *);
virtual ~Dihedral() {}
virtual void init();
virtual void init_style() {}
virtual void compute(int, int) = 0;
virtual void settings(int, char **) {}
virtual void coeff(int, int, char **) = 0;
virtual void write_restart(FILE *) = 0;
virtual void read_restart(FILE *) = 0;
virtual double memory_usage() {return 0.0;}
};
}
#endif

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