58 lines
1.3 KiB
C++
58 lines
1.3 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
|
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
|
https://www.lammps.org/ 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.
|
|
|
|
Identical to dihedral harmonic, except if all k's are zero the
|
|
force loop is skipped.
|
|
|
|
------------------------------------------------------------------------- */
|
|
|
|
#ifndef LMP_DIHEDRAL_ZERO2_H
|
|
#define LMP_DIHEDRAL_ZERO2_H
|
|
|
|
#include "dihedral.h"
|
|
|
|
namespace LAMMPS_NS {
|
|
|
|
class DihedralZero2 : public Dihedral {
|
|
public:
|
|
DihedralZero2(class LAMMPS *);
|
|
virtual ~DihedralZero2();
|
|
virtual void compute(int, int);
|
|
virtual void coeff(int, char **);
|
|
virtual void settings(int, char **);
|
|
|
|
void write_restart(FILE *);
|
|
void read_restart(FILE *);
|
|
void write_data(FILE *);
|
|
|
|
protected:
|
|
int coeffflag;
|
|
|
|
virtual void allocate();
|
|
};
|
|
|
|
} // namespace LAMMPS_NS
|
|
|
|
#endif
|
|
|
|
/* ERROR/WARNING messages:
|
|
|
|
E: Illegal ... command
|
|
|
|
UNDOCUMENTED
|
|
|
|
E: Incorrect args for dihedral coefficients
|
|
|
|
UNDOCUMENTED
|
|
|
|
*/
|