forked from lijiext/lammps
46 lines
1.3 KiB
C
46 lines
1.3 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 FIX_SPRING_SELF_H
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#define FIX_SPRING_SELF_H
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#include "fix.h"
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class FixSpringSelf : public Fix {
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public:
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FixSpringSelf(int, char **);
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~FixSpringSelf();
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int setmask();
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void init();
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void setup();
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void post_force(int);
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void post_force_respa(int, int, int);
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int memory_usage();
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void grow_arrays(int);
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void copy_arrays(int, int);
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int pack_exchange(int, double *);
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int unpack_exchange(int, double *);
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int pack_restart(int, double *);
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void unpack_restart(int, int);
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int size_restart(int);
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int maxsize_restart();
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private:
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double k;
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double **xoriginal; // original coords of atoms
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int nlevels_respa;
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};
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#endif
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