/* ---------------------------------------------------------------------- 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(addtorque,FixAddTorque) #else #ifndef LMP_FIX_ADDTORQUE_H #define LMP_FIX_ADDTORQUE_H #include "fix.h" namespace LAMMPS_NS { class FixAddTorque : public Fix { public: FixAddTorque(class LAMMPS *, int, char **); ~FixAddTorque(); 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 xvalue,yvalue,zvalue; int varflag; char *xstr,*ystr,*zstr; int xvar,yvar,zvar,xstyle,ystyle,zstyle; double foriginal[4],foriginal_all[4]; int force_flag; int nlevels_respa; }; } #endif #endif