/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://www.lammps.org/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov 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(angle/local,ComputeAngleLocal); // clang-format on #else #ifndef LMP_COMPUTE_ANGLE_LOCAL_H #define LMP_COMPUTE_ANGLE_LOCAL_H #include "compute.h" namespace LAMMPS_NS { class ComputeAngleLocal : public Compute { public: ComputeAngleLocal(class LAMMPS *, int, char **); ~ComputeAngleLocal() override; void init() override; void compute_local() override; double memory_usage() override; private: int nvalues, nvar, ncount, setflag, tflag; int tvar; int *bstyle, *vvar; char *tstr; char **vstr; int nmax; double *vlocal; double **alocal; int compute_angles(int); void reallocate(int); }; } // namespace LAMMPS_NS #endif #endif /* ERROR/WARNING messages: E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. E: Compute angle/local used when angles are not allowed The atom style does not support angles. E: Invalid keyword in compute angle/local command Self-explanatory. E: No angle style is defined for compute angle/local Self-explanatory. */