/* -*- 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(evaporate,FixEvaporate) #else #ifndef LMP_FIX_EVAPORATE_H #define LMP_FIX_EVAPORATE_H #include "fix.h" namespace LAMMPS_NS { class FixEvaporate : public Fix { public: FixEvaporate(class LAMMPS *, int, char **); ~FixEvaporate(); int setmask(); void init(); void pre_exchange(); double compute_scalar(); double memory_usage(); private: int nevery,nflux,iregion; int molflag; int ndeleted; char *idregion; int nmax; int *list,*mark; class RanPark *random; }; } #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 evaporate does not exist Self-explanatory. E: Cannot evaporate atoms in atom_modify first group This is a restriction due to the way atoms are organized in a list to enable the atom_modify first command. W: Fix evaporate may delete atom with non-zero molecule ID This is probably an error, since you should not delete only one atom of a molecule. E: Fix evaporate molecule requires atom attribute molecule The atom style being used does not define a molecule ID. */