// clang-format off /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, 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 "nstencil_half_multi_old_3d_tri.h" #include "atom.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ NStencilHalfMultiOld3dTri:: NStencilHalfMultiOld3dTri(LAMMPS *lmp) : NStencil(lmp) {} /* ---------------------------------------------------------------------- create stencil based on bin geometry and cutoff ------------------------------------------------------------------------- */ void NStencilHalfMultiOld3dTri::create() { int i,j,k,n; double rsq,typesq; int *s; double *distsq; int ntypes = atom->ntypes; for (int itype = 1; itype <= ntypes; itype++) { typesq = cuttypesq[itype]; s = stencil_multi_old[itype]; distsq = distsq_multi_old[itype]; n = 0; for (k = 0; k <= sz; k++) for (j = -sy; j <= sy; j++) for (i = -sx; i <= sx; i++) { rsq = bin_distance(i,j,k); if (rsq < typesq) { distsq[n] = rsq; s[n++] = k*mbiny*mbinx + j*mbinx + i; } } nstencil_multi_old[itype] = n; } }