/* -*- 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 COMPUTE_CLASS // clang-format off ComputeStyle(dihedral/local,ComputeDihedralLocal); // clang-format on #else #ifndef LMP_COMPUTE_DIHEDRAL_LOCAL_H #define LMP_COMPUTE_DIHEDRAL_LOCAL_H #include "compute.h" namespace LAMMPS_NS { class ComputeDihedralLocal : public Compute { public: ComputeDihedralLocal(class LAMMPS *, int, char **); ~ComputeDihedralLocal() override; void init() override; void compute_local() override; double memory_usage() override; private: int nvalues, nvar, ncount, setflag; int pvar; int *bstyle, *vvar; char *pstr; char **vstr; int nmax; double *vlocal; double **alocal; int compute_dihedrals(int); void reallocate(int); }; } // namespace LAMMPS_NS #endif #endif