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bond_class2.h

/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
www.cs.sandia.gov/~sjplimp/lammps.html
Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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 BOND_CLASS2_H
#define BOND_CLASS2_H
#include "stdio.h"
#include "bond.h"
class BondClass2 : public Bond {
public:
BondClass2() {}
~BondClass2();
void compute(int, int);
void coeff(int, char **);
double equilibrium_distance(int);
void write_restart(FILE *);
void read_restart(FILE *);
void single(int, double, int, int, double, int, double &, double &);
private:
double *r0,*k2,*k3,*k4;
void allocate();
};
#endif

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