57 lines
1.5 KiB
C++
57 lines
1.5 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 COMPUTE_CLASS
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// clang-format off
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ComputeStyle(property/chunk,ComputePropertyChunk);
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// clang-format on
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#else
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#ifndef LMP_COMPUTE_CHUNK_MOLECULE_H
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#define LMP_COMPUTE_CHUNK_MOLECULE_H
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#include "compute_chunk.h"
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namespace LAMMPS_NS {
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class ComputePropertyChunk : public ComputeChunk {
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public:
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ComputePropertyChunk(class LAMMPS *, int, char **);
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~ComputePropertyChunk() override;
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void compute_vector() override;
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void compute_array() override;
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double memory_usage() override;
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private:
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int *ichunk;
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int nvalues, countflag;
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double *buf;
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int *count_one, *count_all;
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void allocate() override;
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typedef void (ComputePropertyChunk::*FnPtrPack)(int);
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FnPtrPack *pack_choice; // ptrs to pack functions
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void pack_count(int);
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void pack_id(int);
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void pack_coord1(int);
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void pack_coord2(int);
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void pack_coord3(int);
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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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