61 lines
1.5 KiB
C++
61 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 FIX_CLASS
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// clang-format off
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FixStyle(vector,FixVector);
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// clang-format on
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#else
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#ifndef LMP_FIX_VECTOR_H
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#define LMP_FIX_VECTOR_H
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#include "fix.h"
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namespace LAMMPS_NS {
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class FixVector : public Fix {
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public:
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FixVector(class LAMMPS *, int, char **);
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~FixVector() override;
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int setmask() override;
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void init() override;
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void setup(int) override;
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void end_of_step() override;
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double compute_vector(int) override;
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double compute_array(int, int) override;
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private:
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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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bigint nextstep, initialstep;
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int ncount; // # of values currently in growing vector or array
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int ncountmax; // max # of values vector/array can hold
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double *vector;
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double **array;
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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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