/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories LAMMPS development team: developers@lammps.org Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifdef FIX_CLASS // clang-format off FixStyle(vector,FixVector); // clang-format on #else #ifndef LMP_FIX_VECTOR_H #define LMP_FIX_VECTOR_H #include "fix.h" namespace LAMMPS_NS { class FixVector : public Fix { public: FixVector(class LAMMPS *, int, char **); ~FixVector() override; int setmask() override; void init() override; void setup(int) override; void end_of_step() override; double compute_vector(int) override; double compute_array(int, int) override; private: struct value_t { int which; int argindex; std::string id; union { class Compute *c; class Fix *f; int v; } val; }; std::vector values; bigint nextstep, initialstep; int ncount; // # of values currently in growing vector or array int ncountmax; // max # of values vector/array can hold double *vector; double **array; }; } // namespace LAMMPS_NS #endif #endif