74 lines
1.8 KiB
C++
74 lines
1.8 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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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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#ifdef COMPUTE_CLASS
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// clang-format off
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ComputeStyle(body/local,ComputeBodyLocal);
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// clang-format on
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#else
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#ifndef LMP_COMPUTE_BODY_LOCAL_H
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#define LMP_COMPUTE_BODY_LOCAL_H
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#include "compute.h"
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namespace LAMMPS_NS {
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class ComputeBodyLocal : public Compute {
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public:
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ComputeBodyLocal(class LAMMPS *, int, char **);
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~ComputeBodyLocal() override;
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void init() override;
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void compute_local() override;
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double memory_usage() override;
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private:
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int nvalues;
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int *which, *index;
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int nmax;
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class AtomVecBody *avec;
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class Body *bptr;
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int compute_body(int);
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void reallocate(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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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Compute body/local requires atom style body
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Self-explanatory.
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E: Invalid index in compute body/local command
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Self-explanatory.
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E: Invalid index for non-body particles in compute body/local command
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Only indices 1,2,3 can be used for non-body particles.
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*/
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