/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, 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 ComputeStyle(temp/region,ComputeTempRegion) #else #ifndef LMP_COMPUTE_TEMP_REGION_H #define LMP_COMPUTE_TEMP_REGION_H #include "compute.h" namespace LAMMPS_NS { class ComputeTempRegion : public Compute { public: ComputeTempRegion(class LAMMPS *, int, char **); virtual ~ComputeTempRegion(); void init(); void setup(); virtual double compute_scalar(); virtual void compute_vector(); int dof_remove(int); void remove_bias(int, double *); void remove_bias_all(); void restore_bias(int, double *); void restore_bias_all(); double memory_usage(); protected: int iregion; char *idregion; }; } #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: Region ID for compute temp/region does not exist Self-explanatory. */