/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, 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 "imbalance_store.h" #include #include "atom.h" #include "error.h" #include "fmt/format.h" using namespace LAMMPS_NS; /* -------------------------------------------------------------------- */ ImbalanceStore::ImbalanceStore(LAMMPS *lmp) : Imbalance(lmp), name(0) {} /* -------------------------------------------------------------------- */ ImbalanceStore::~ImbalanceStore() { delete [] name; } /* -------------------------------------------------------------------- */ int ImbalanceStore::options(int narg, char **arg) { if (narg < 1) error->all(FLERR,"Illegal balance weight command"); int len = strlen(arg[0]) + 1; name = new char[len]; memcpy(name,arg[0],len); return 1; } /* -------------------------------------------------------------------- */ void ImbalanceStore::compute(double *weight) { int dflag = 0; int idx = atom->find_custom(name,dflag); // property does not exist if (idx < 0 || dflag != 1) return; double *prop = atom->dvector[idx]; const int nlocal = atom->nlocal; for (int i = 0; i < nlocal; ++i) prop[i] = weight[i]; } /* -------------------------------------------------------------------- */ std::string ImbalanceStore::info() { return fmt::format(" storing weight in atom property d_{}\n",name); }