38 lines
1.1 KiB
C++
38 lines
1.1 KiB
C++
/* ----------------------------------------------------------------------
|
|
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 ANGLE_COSINE_SQUARED_H
|
|
#define ANGLE_COSINE_SQUARED_H
|
|
|
|
#include "stdio.h"
|
|
#include "angle.h"
|
|
|
|
class AngleCosineSquared : public Angle {
|
|
public:
|
|
AngleCosineSquared() {}
|
|
~AngleCosineSquared();
|
|
void compute(int, int);
|
|
void coeff(int, int, char **);
|
|
double equilibrium_angle(int);
|
|
void write_restart(FILE *);
|
|
void read_restart(FILE *);
|
|
double single(int, int, int, int, double);
|
|
|
|
private:
|
|
double *k,*theta0;
|
|
|
|
void allocate();
|
|
};
|
|
|
|
#endif
|