75 lines
1.8 KiB
C++
75 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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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(reduce,ComputeReduce);
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// clang-format on
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#else
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#ifndef LMP_COMPUTE_REDUCE_H
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#define LMP_COMPUTE_REDUCE_H
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#include "compute.h" // IWYU pragma: export
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namespace LAMMPS_NS {
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class ComputeReduce : public Compute {
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public:
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enum { SUM, SUMSQ, SUMABS, MINN, MAXX, AVE, AVESQ, AVEABS, MINABS, MAXABS };
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enum { PERATOM, LOCAL };
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ComputeReduce(class LAMMPS *, int, char **);
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~ComputeReduce() override;
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void init() override;
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double compute_scalar() override;
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void compute_vector() override;
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double memory_usage() override;
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protected:
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int mode, nvalues, input_mode;
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struct value_t {
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int which;
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int argindex;
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std::string id;
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union {
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class Compute *c;
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class Fix *f;
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int v;
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} val;
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};
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std::vector<value_t> values;
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double *onevec;
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int *replace, *indices, *owner;
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MPI_Op scalar_reduction_operation;
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int index;
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char *idregion;
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class Region *region;
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int maxatom;
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double *varatom;
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struct valpair {
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double value;
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int proc;
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};
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valpair pairme, pairall;
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virtual double compute_one(int, int);
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virtual bigint count(int);
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void combine(double &, double, 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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