added buckling angle_style header file

This commit is contained in:
phankl
2022-04-11 11:01:56 +01:00
parent add992d0dc
commit 36272b3267

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@ -0,0 +1,54 @@
/* ----------------------------------------------------------------------
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.
------------------------------------------------------------------------- */
#ifdef ANGLE_CLASS
AngleStyle(mesocnt, AngleMesoCNT);
#else
#ifndef LMP_ANGLE_MESOCNT_H
#define LMP_ANGLE_MESOCNT_H
#include "angle.h"
namespace LAMMPS_NS {
class AngleMesoCNT : public Angle {
public:
AngleMesoCNT(class LAMMPS *);
~AngleMesoCNT() override;
void compute(int, int) override;
void coeff(int, char **) override;
double equilibrium_angle(int) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
double single(int, int, int, int) override;
protected:
double *kh, *kb, *thetab;
virtual void allocate();
};
} // namespace LAMMPS_NS
#endif
#endif
/* ERROR/WARNING messages:
E: Incorrect args for angle coefficients
Self-explanatory. Check the input script or data file.
*/