84 lines
2.4 KiB
C++
84 lines
2.4 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_NSTENCIL_H
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#define LMP_NSTENCIL_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class NStencil : protected Pointers {
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public:
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int istyle; // 1-N index into binnames
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class NBin *nb; // ptr to NBin instance I depend on
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bigint last_create; // timesteps for last operations performed
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bigint last_stencil_memory;
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bigint last_copy_bin;
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int nstencil; // # of bins in stencil
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int *stencil; // list of bin offsets
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int **stencilxyz; // bin offsets in xyz dims
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int *nstencil_multi; // # bins in each type-based multi stencil
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int **stencil_multi; // list of bin offsets in each stencil
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double **distsq_multi; // sq distances to bins in each stencil
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NStencil(class LAMMPS *);
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virtual ~NStencil();
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void copy_neighbor_info();
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void create_setup();
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bigint memory_usage();
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virtual void create() = 0;
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inline int get_maxstencil() {return maxstencil;}
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protected:
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// data from Neighbor class
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int neighstyle;
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double cutneighmax;
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double cutneighmaxsq;
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double *cuttypesq;
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// data from NBin class
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int mbinx,mbiny,mbinz;
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double binsizex,binsizey,binsizez;
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double bininvx,bininvy,bininvz;
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// data common to all NStencil variants
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int xyzflag; // 1 if stencilxyz is allocated
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int maxstencil; // max size of stencil
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int maxstencil_multi; // max sizes of stencils
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int sx,sy,sz; // extent of stencil in each dim
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int dimension;
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// methods for all NStencil variants
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void copy_bin_info(); // copy info from NBin class
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double bin_distance(int, int, int); // distance between bin corners
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};
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}
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#endif
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/* ERROR/WARNING messages:
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*/
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