/* ---------------------------------------------------------------------- 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(Ktest,FixKTest) #else #ifndef LMP_FIX_MC_FLUC_Q #define LMP_FIX_MC_FLUC_Q #include "fix.h" namespace LAMMPS_NS { class FixKTest : public Fix { public: FixKTest(class LAMMPS *, int, char **); ~FixKTest(); int setmask(); void init(); void end_of_step(); double compute_scalar(); void reallocate(int); int LocalCounter; int GlobalCounter; int nevery; //Attempt MC moves every this number of time step int InputSomething; double ReturnSomething(int); }; } #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: Fix thermal/conductivity swap value must be positive Self-explanatory. W: Fix thermal/conductivity comes before fix ave/spatial The order of these 2 fixes in your input script is such that fix thermal/conductivity comes first. If you are using fix ave/spatial to measure the temperature profile induced by fix viscosity, then this may cause a glitch in the profile since you are averaging immediately after swaps have occurred. Flipping the order of the 2 fixes typically helps. */