forked from lijiext/lammps
39 lines
1.1 KiB
C
39 lines
1.1 KiB
C
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/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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www.cs.sandia.gov/~sjplimp/lammps.html
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Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
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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 BOND_FENE_H
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#define BOND_FENE_H
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#include "stdio.h"
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#include "bond.h"
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class BondFENE : public Bond {
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public:
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BondFENE();
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~BondFENE();
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void compute(int, int);
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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 single(int, double, int, int, double, int, double &, double &);
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private:
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double TWO_1_3;
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double *k,*r0,*epsilon,*sigma;
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void allocate();
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};
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#endif
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