/* -*- 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 BOND_CLASS BondStyle(hybrid,BondHybrid) #else #ifndef LMP_BOND_HYBRID_H #define LMP_BOND_HYBRID_H #include #include "bond.h" namespace LAMMPS_NS { class BondHybrid : public Bond { friend class Force; public: int nstyles; // # of different bond styles Bond **styles; // class list for each Bond style char **keywords; // keyword for each Bond style BondHybrid(class LAMMPS *); ~BondHybrid(); void compute(int, int); void settings(int, char **); void coeff(int, char **); void init_style(); double equilibrium_distance(int); void write_restart(FILE *); void read_restart(FILE *); double single(int, double, int, int, double &); double memory_usage(); private: int *map; // which style each bond type points to int has_quartic; // which style, if any is a quartic bond style int *nbondlist; // # of bonds in sub-style bondlists int *maxbond; // max # of bonds sub-style lists can store int ***bondlist; // bondlist for each sub-style void allocate(); }; } #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: Bond style hybrid cannot use same bond style twice Self-explanatory. E: Bond style hybrid cannot have hybrid as an argument Self-explanatory. E: Bond style hybrid cannot have none as an argument Self-explanatory. E: Bond coeff for hybrid has invalid style Bond style hybrid uses another bond style as one of its coefficients. The bond style used in the bond_coeff command or read from a restart file is not recognized. E: Invoked bond equil distance on bond style none Self-explanatory. E: Invoked bond single on bond style none Self-explanatory. */