/* //@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 Christian R. Trott (crtrott@sandia.gov) // // ************************************************************************ //@HEADER */ #ifndef SYSTEM_H_ #define SYSTEM_H_ #include 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