68 lines
1.8 KiB
C++
68 lines
1.8 KiB
C++
/* ----------------------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://lammps.sandia.gov/, Sandia National Laboratories
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Steve Plimpton, sjplimp@sandia.gov
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#include "imbalance_store.h"
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#include "atom.h"
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#include "error.h"
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#include <cstring>
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using namespace LAMMPS_NS;
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/* -------------------------------------------------------------------- */
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ImbalanceStore::ImbalanceStore(LAMMPS *lmp) : Imbalance(lmp), name(0) {}
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/* -------------------------------------------------------------------- */
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ImbalanceStore::~ImbalanceStore()
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{
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delete [] name;
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}
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/* -------------------------------------------------------------------- */
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int ImbalanceStore::options(int narg, char **arg)
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{
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if (narg < 1) error->all(FLERR,"Illegal balance weight command");
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name = utils::strdup(arg[0]);
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return 1;
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}
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/* -------------------------------------------------------------------- */
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void ImbalanceStore::compute(double *weight)
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{
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int dflag = 0;
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int idx = atom->find_custom(name,dflag);
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// property does not exist
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if (idx < 0 || dflag != 1) return;
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double *prop = atom->dvector[idx];
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const int nlocal = atom->nlocal;
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for (int i = 0; i < nlocal; ++i)
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prop[i] = weight[i];
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}
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/* -------------------------------------------------------------------- */
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std::string ImbalanceStore::info()
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{
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return fmt::format(" storing weight in atom property d_{}\n",name);
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}
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