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