/* -*- c++ -*- ---------------------------------------------------------- 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 FIX_CLASS FixStyle(heat,FixHeat) #else #ifndef LMP_FIX_HEAT_H #define LMP_FIX_HEAT_H #include "fix.h" namespace LAMMPS_NS { class FixHeat : public Fix { public: FixHeat(class LAMMPS *, int, char **); ~FixHeat(); int setmask(); void init(); void end_of_step(); double compute_scalar(); double memory_usage(); private: int iregion; double heat_input; double masstotal; double scale; char *idregion; char *hstr; int hstyle,hvar; int maxatom; double *vheat; double *vscale; }; } #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 fix heat does not exist Self-explanatory. E: Variable name for fix heat does not exist Self-explanatory. E: Variable for fix heat is invalid style Only equal-style or atom-style variables can be used. W: Cannot apply fix heat to atoms in rigid bodies UNDOCUMENTED E: Fix heat group has no atoms Self-explanatory. E: Fix heat group has invalid mass UNDOCUMENTED E: Fix heat kinetic energy went negative This will cause the velocity rescaling about to be performed by fix heat to be invalid. E: Fix heat kinetic energy of an atom went negative This will cause the velocity rescaling about to be performed by fix heat to be invalid. */