/* -*- 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(adapt,FixAdapt) #else #ifndef LMP_FIX_ADAPT_H #define LMP_FIX_ADAPT_H #include "fix.h" #include "pair.h" namespace LAMMPS_NS { class FixAdapt : public Fix { public: int diamflag; // 1 if atom diameters will vary, for AtomVecGranular int chgflag; FixAdapt(class LAMMPS *, int, char **); ~FixAdapt(); int setmask(); void post_constructor(); void init(); void setup_pre_force(int); void pre_force(int); void post_run(); void setup_pre_force_respa(int,int); void pre_force_respa(int,int,int); void set_arrays(int); private: int nadapt,resetflag,scaleflag; int anypair; int nlevels_respa; char *id_fix_diam,*id_fix_chg; class FixStore *fix_diam,*fix_chg; struct Adapt { int which,ivar; char *var; char *pstyle,*pparam; int ilo,ihi,jlo,jhi; int pdim; double *scalar,scalar_orig; double **array,**array_orig; int aparam; Pair *pair; }; Adapt *adapt; double *kspace_scale; void change_settings(); void restore_settings(); }; } #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: Cannot use dynamic group with fix adapt atom This is not yet supported. E: Variable name for fix adapt does not exist Self-explanatory. E: Variable for fix adapt is invalid style Only equal-style variables can be used. E: Fix adapt pair style does not exist Self-explanatory E: Fix adapt pair style param not supported The pair style does not know about the parameter you specified. E: Fix adapt type pair range is not valid for pair hybrid sub-style Self-explanatory. E: Fix adapt kspace style does not exist Self-explanatory. E: Fix adapt requires atom attribute diameter The atom style being used does not specify an atom diameter. E: Fix adapt requires atom attribute charge The atom style being used does not specify an atom charge. E: Could not find fix adapt storage fix ID This should not happen unless you explicitly deleted a secondary fix that fix adapt created internally. */