67 lines
1.8 KiB
C++
67 lines
1.8 KiB
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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#ifdef PAIR_CLASS
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PairStyle(hybrid,PairHybrid)
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#else
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#ifndef LMP_PAIR_HYBRID_H
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#define LMP_PAIR_HYBRID_H
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#include "stdio.h"
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#include "pair.h"
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namespace LAMMPS_NS {
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class PairHybrid : public Pair {
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public:
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int nstyles; // # of different sub-styles
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Pair **styles; // list of Pair style classes
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char **keywords; // style name of each Pair style
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PairHybrid(class LAMMPS *);
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virtual ~PairHybrid();
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void compute(int, int);
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void settings(int, char **);
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virtual void coeff(int, char **);
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void init_style();
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double init_one(int, int);
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void write_restart(FILE *);
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void read_restart(FILE *);
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double single(int, int, int, int, double, double, double, double &);
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void modify_params(int narg, char **arg);
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double memory_usage();
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void compute_inner();
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void compute_middle();
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void compute_outer(int, int);
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void *extract(char *, int &);
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void reset_dt();
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int check_ijtype(int, int, char *);
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protected:
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int **nmap; // # of sub-styles itype,jtype points to
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int ***map; // list of sub-styles itype,jtype points to
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void allocate();
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virtual void modify_requests();
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};
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}
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#endif
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#endif
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