/* -*- 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(bond,ComputeBond); // clang-format on #else #ifndef LMP_COMPUTE_BOND_H #define LMP_COMPUTE_BOND_H #include "compute.h" namespace LAMMPS_NS { class ComputeBond : public Compute { public: ComputeBond(class LAMMPS *, int, char **); ~ComputeBond() override; void init() override; void compute_vector() override; private: int nsub; class BondHybrid *bond; double *emine; }; } // 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: Bond style for compute bond command is not hybrid UNDOCUMENTED E: Bond style for compute bond command has changed UNDOCUMENTED E: Energy was not tallied on needed timestep You are using a thermo keyword that requires potentials to have tallied energy, but they didn't on this timestep. See the variable doc page for ideas on how to make this work. U: Compute bond must use group all Bond styles accumulate energy on all atoms. U: Unrecognized bond style in compute bond command Self-explanatory. */