/* -*- 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(spring,FixSpring) #else #ifndef LMP_FIX_SPRING_H #define LMP_FIX_SPRING_H #include "fix.h" namespace LAMMPS_NS { class FixSpring : public Fix { public: FixSpring(class LAMMPS *, int, char **); ~FixSpring(); int setmask(); void init(); void setup(int); void min_setup(int); void post_force(int); void post_force_respa(int, int, int); void min_post_force(int); double compute_scalar(); double compute_vector(int); private: double xc,yc,zc,r0; double k_spring; int xflag,yflag,zflag; int styleflag; char *group2; int igroup2,group2bit; double masstotal,masstotal2; int ilevel_respa; double espring,ftotal[4]; void spring_tether(); void spring_couple(); }; } #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: R0 < 0 for fix spring command Equilibrium spring length is invalid. E: Fix spring couple group ID does not exist Self-explanatory. E: Two groups cannot be the same in fix spring couple Self-explanatory. */