/* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ #include "string.h" #include "stdlib.h" #include "fix_add_force.h" #include "atom.h" #include "update.h" #include "respa.h" #include "error.h" using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) { if (narg != 6) error->all("Illegal fix addforce command"); xvalue = atof(arg[3]); yvalue = atof(arg[4]); zvalue = atof(arg[5]); } /* ---------------------------------------------------------------------- */ int FixAddForce::setmask() { int mask = 0; mask |= POST_FORCE; mask |= POST_FORCE_RESPA; mask |= MIN_POST_FORCE; return mask; } /* ---------------------------------------------------------------------- */ void FixAddForce::init() { if (strcmp(update->integrate_style,"respa") == 0) nlevels_respa = ((Respa *) update->integrate)->nlevels; } /* ---------------------------------------------------------------------- */ void FixAddForce::setup() { if (strcmp(update->integrate_style,"verlet") == 0) post_force(1); else { ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1); post_force_respa(1,nlevels_respa-1,0); ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1); } } /* ---------------------------------------------------------------------- */ void FixAddForce::min_setup() { post_force(1); } /* ---------------------------------------------------------------------- */ void FixAddForce::post_force(int vflag) { double **f = atom->f; int *mask = atom->mask; int nlocal = atom->nlocal; for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { f[i][0] += xvalue; f[i][1] += yvalue; f[i][2] += zvalue; } } /* ---------------------------------------------------------------------- */ void FixAddForce::post_force_respa(int vflag, int ilevel, int iloop) { if (ilevel == nlevels_respa-1) post_force(vflag); } /* ---------------------------------------------------------------------- */ void FixAddForce::min_post_force(int vflag) { post_force(vflag); }