forked from lijiext/lammps
93 lines
2.7 KiB
C
93 lines
2.7 KiB
C
/*
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//@HEADER
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// ************************************************************************
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//
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// Kokkos v. 2.0
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// Copyright (2014) Sandia Corporation
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//
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// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
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// the U.S. Government retains certain rights in this software.
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//
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// Redistribution and use in source and binary forms, with or without
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// modification, are permitted provided that the following conditions are
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// met:
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//
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// 1. Redistributions of source code must retain the above copyright
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// notice, this list of conditions and the following disclaimer.
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//
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// 2. Redistributions in binary form must reproduce the above copyright
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// notice, this list of conditions and the following disclaimer in the
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// documentation and/or other materials provided with the distribution.
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//
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// 3. Neither the name of the Corporation nor the names of the
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// contributors may be used to endorse or promote products derived from
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// this software without specific prior written permission.
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//
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// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
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// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
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// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
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// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
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// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
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// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
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// PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
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// LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
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// NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
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// SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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//
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// Questions? Contact H. Carter Edwards (hcedwar@sandia.gov)
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//
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// ************************************************************************
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//@HEADER
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*/
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#ifndef SYSTEM_H_
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#define SYSTEM_H_
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#include <types.h>
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struct Box {
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double xprd, yprd, zprd;
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double xlo, xhi;
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double ylo, yhi;
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double zlo, zhi;
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};
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struct System {
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Box box;
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int natoms;
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int nlocal;
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int nghost;
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t_x_array d_x;
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t_x_array_host h_x;
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t_f_array f;
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t_neighbors neighbors;
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t_int_1d numneigh;
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double delta;
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double neigh_cut,neigh_cutsq;
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int mbins;
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int nbinx,nbiny,nbinz;
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int mbinx,mbiny,mbinz;
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int mbinxlo,mbinylo,mbinzlo;
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double binsizex,binsizey,binsizez;
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double bininvx,bininvy,bininvz;
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t_int_1d bincount;
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t_int_2d bins;
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t_int_scalar d_resize;
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t_int_scalar_host h_resize;
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t_int_1d d_stencil;
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t_int_1d_host h_stencil;
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int nstencil;
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double force_cut,force_cutsq;
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};
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#endif
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