/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #include "neigh_request.h" #include "atom.h" #include "memory.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ NeighRequest::NeighRequest(LAMMPS *lmp) : Pointers(lmp) { // default ID = 0 id = 0; // default is pair request pair = 1; fix = compute = command = 0; // default is half neighbor list half = 1; full = 0; gran = granhistory = 0; respainner = respamiddle = respaouter = 0; half_from_full = 0; ghost = 0; // default is use newton_pair setting in force newton = 0; // default is every reneighboring occasional = 0; // default is no auxiliary floating point values dnum = 0; // default is no neighbors of ghosts ghost = 0; // default is no copy or skip copy = 0; skip = 0; iskip = NULL; ijskip = NULL; otherlist = -1; } /* ---------------------------------------------------------------------- */ NeighRequest::~NeighRequest() { delete [] iskip; memory->destroy(ijskip); } /* ---------------------------------------------------------------------- compare this request to other request return 1 if every variable is same, 0 if different in any way ------------------------------------------------------------------------- */ int NeighRequest::identical(NeighRequest *other) { int same = 1; if (requestor != other->requestor) same = 0; if (id != other->id) same = 0; if (pair != other->pair) same = 0; if (fix != other->fix) same = 0; if (compute != other->compute) same = 0; if (command != other->command) same = 0; if (half != other->half) same = 0; if (full != other->full) same = 0; if (gran != other->gran) same = 0; if (granhistory != other->granhistory) same = 0; if (respainner != other->respainner) same = 0; if (respamiddle != other->respamiddle) same = 0; if (respaouter != other->respaouter) same = 0; if (half_from_full != other->half_from_full) same = 0; if (newton != other->newton) same = 0; if (occasional != other->occasional) same = 0; if (dnum != other->dnum) same = 0; if (ghost != other->ghost) same = 0; if (copy != other->copy) same = 0; if (same_skip(other) == 0) same = 0; if (otherlist != other->otherlist) same = 0; return same; } /* ---------------------------------------------------------------------- compare kind of this request to other request return 1 if same, 0 if different ------------------------------------------------------------------------- */ int NeighRequest::same_kind(NeighRequest *other) { int same = 1; if (half != other->half) same = 0; if (full != other->full) same = 0; if (gran != other->gran) same = 0; if (granhistory != other->granhistory) same = 0; if (respainner != other->respainner) same = 0; if (respamiddle != other->respamiddle) same = 0; if (respaouter != other->respaouter) same = 0; if (half_from_full != other->half_from_full) same = 0; if (newton != other->newton) same = 0; if (ghost != other->ghost) same = 0; return same; } /* ---------------------------------------------------------------------- compare skip attributes of this request to other request return 1 if same, 0 if different ------------------------------------------------------------------------- */ int NeighRequest::same_skip(NeighRequest *other) { int i,j; int same = 1; if (skip != other->skip) same = 0; if (skip && other->skip) { int ntypes = atom->ntypes; for (i = 1; i <= ntypes; i++) if (iskip[i] != other->iskip[i]) same = 0; for (i = 1; i <= ntypes; i++) for (j = 1; j <= ntypes; j++) if (ijskip[i][j] != other->ijskip[i][j]) same = 0; } return same; } /* ---------------------------------------------------------------------- set kind and other values of this request to that of other request ------------------------------------------------------------------------- */ void NeighRequest::copy_request(NeighRequest *other) { half = 0; if (other->half) half = 1; if (other->full) full = 1; if (other->gran) gran = 1; if (other->granhistory) granhistory = 1; if (other->respainner) respainner = 1; if (other->respamiddle) respamiddle = 1; if (other->respaouter) respaouter = 1; if (other->half_from_full) half_from_full = 1; newton = other->newton; dnum = other->dnum; ghost = other->ghost; }