/* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator www.cs.sandia.gov/~sjplimp/lammps.html Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories 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. ------------------------------------------------------------------------- Plugin written by Marco Kalweit, FMACS, Cranfield University, UK ------------------------------------------------------------------------- */ #ifndef FIX_SETVELBYFORCE_H #define FIX_SETVELBYFORCE_H #include "fix.h" /////////////////////////////////////////////////////////////////////////////// // class FixSetVelbyForce /////////////////////////////////////////////////////////////////////////////// class FixSetVelbyForce : public Fix { public: // public functions FixSetVelbyForce(int, char **); ~FixSetVelbyForce(); int setmask(); void setup(); void post_force(int); private: // private attributes int flagx,flagy,flagz; double vx, vy, vz; // desired velocity vector for the group double a; // desired acceleration struct TPrint{ FILE* pFileOut; // file pointer int ntsout; // output at ntsout timesteps int nSum; // number of summs double v[3]; // summed velocities double f[3]; // summed forces } print; }; #endif