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lammps/src/dihedral_zero.h
2022-01-21 12:48:11 -05:00

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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.
------------------------------------------------------------------------- */
#ifdef DIHEDRAL_CLASS
// clang-format off
DihedralStyle(zero,DihedralZero);
// clang-format on
#else
#ifndef LMP_DIHEDRAL_ZERO_H
#define LMP_DIHEDRAL_ZERO_H
#include "dihedral.h"
namespace LAMMPS_NS {
class DihedralZero : public Dihedral {
public:
DihedralZero(class LAMMPS *);
~DihedralZero() override;
void compute(int, int) override;
void coeff(int, char **) override;
void settings(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
int coeffflag;
virtual void allocate();
};
} // namespace LAMMPS_NS
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
E: Incorrect args for dihedral coefficients
UNDOCUMENTED
*/