forked from lijiext/lammps
107 lines
3.0 KiB
C++
107 lines
3.0 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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#ifndef LMP_NEIGH_REQUEST_H
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#define LMP_NEIGH_REQUEST_H
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#include "pointers.h"
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namespace LAMMPS_NS {
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class NeighRequest : protected Pointers {
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public:
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void *requestor; // class that made request
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int id; // ID of request
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// used to track multiple requests from one class
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// which class is requesting the list, one flag is 1, others are 0
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int pair; // set by default
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int fix;
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int compute;
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int command;
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// kind of list requested, one flag is 1, others are 0
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// set by requesting class
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int half; // 1 if half neigh list (set by default)
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int full; // 1 if full neigh list
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int gran; // 1 if granular list
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int granhistory; // 1 if granular history list
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int respainner; // 1 if a rRESPA inner list
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int respamiddle; // 1 if a rRESPA middle list
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int respaouter; // 1 if a rRESPA outer list
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int half_from_full; // 1 if half list computed from previous full list
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// 0 if needed every reneighboring during run
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// 1 if occasionally needed by a fix, compute, etc
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// set by requesting class
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int occasional;
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// 0 if use force::newton_pair setting
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// 1 if override with pair newton on
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// 2 if override with pair newton off
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int newton;
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// 0 if user of list wants no encoding of special bond flags and all neighs
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// 1 if user of list wants special bond flags encoded, set by default
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int special;
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// number of auxiliary floating point values to store, 0 if none
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// set by requesting class
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int dnum;
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// 1 if also need neighbors of ghosts
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int ghost;
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// 1 if neighbor list build will be done on GPU
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int cudable;
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// 1 if using multi-threaded neighbor list build
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int omp;
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// set by neighbor and pair_hybrid after all requests are made
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// these settings do not change kind value
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int copy; // 1 if this list copied from another list
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int skip; // 1 if this list skips atom types from another list
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int *iskip; // iskip[i] if atoms of type I are not in list
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int **ijskip; // ijskip[i][j] if pairs of type I,J are not in list
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int otherlist; // index of other list to copy or skip from
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// methods
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NeighRequest(class LAMMPS *);
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~NeighRequest();
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int identical(NeighRequest *);
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int same_kind(NeighRequest *);
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int same_skip(NeighRequest *);
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void copy_request(NeighRequest *);
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};
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}
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#endif
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