59 lines
1.4 KiB
C++
59 lines
1.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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http://lammps.sandia.gov, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LMP_BOND_ZERO2_H
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#define LMP_BOND_ZERO2_H
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#include "bond.h"
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namespace LAMMPS_NS {
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class BondZero2 : public Bond {
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public:
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BondZero2(class LAMMPS *);
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virtual ~BondZero2();
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virtual void compute(int, int);
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virtual void settings(int, char **);
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void coeff(int, char **);
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double equilibrium_distance(int);
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void write_restart(FILE *);
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void read_restart(FILE *);
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void write_data(FILE *);
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double single(int, double, int, int, double &);
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virtual void *extract(const char *, int &);
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protected:
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double *r0;
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int coeffflag;
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virtual void allocate();
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};
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} // namespace LAMMPS_NS
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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UNDOCUMENTED
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E: Incorrect args for bond coefficients
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Self-explanatory. Check the input script or data file.
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*/
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