67 lines
2.1 KiB
C++
67 lines
2.1 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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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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#ifdef FIX_CLASS
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// clang-format off
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FixStyle(STORE/ATOM,FixStoreAtom);
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// clang-format on
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#else
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#ifndef LMP_FIX_STORE_ATOM_H
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#define LMP_FIX_STORE_ATOM_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixStoreAtom : public Fix {
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public:
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double *vstore; // vector storage
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double **astore; // array storage
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double ***tstore; // tensor (3d array) storage
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int disable; // 1 if operations (except grow) are currently disabled
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FixStoreAtom(class LAMMPS *, int, char **);
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~FixStoreAtom() override;
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int setmask() override;
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void grow_arrays(int) override;
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void copy_arrays(int, int, int) override;
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int pack_border(int, int *, double *) override;
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int unpack_border(int, int, double *) override;
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int pack_exchange(int, double *) override;
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int unpack_exchange(int, double *) override;
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int pack_restart(int, double *) override;
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void unpack_restart(int, int) override;
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int size_restart(int) override;
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int maxsize_restart() override;
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double memory_usage() override;
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private:
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int vecflag; // 1 if ncol=1
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int arrayflag; // 1 if a 2d array (vector per atom)
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int tensorflag; // 1 if a 3d array (array per atom)
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int ghostflag; // 0/1 to communicate values with ghost atoms
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int restartflag; // 0/1 to store values in restart files
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int n1, n2; // size of 3d dims of per-atom data struct
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int nvalues; // number of per-atom values
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int nbytes; // number of per-atom bytes
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};
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} // namespace LAMMPS_NS
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#endif
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#endif
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