/* ---------------------------------------------------------------------- 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. ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- Contributing authors: Frances Mackay, Santtu Ollila, Colin Denniston (UWO) ------------------------------------------------------------------------- */ #include #include #include #include "fix_lb_viscous.h" #include "atom.h" #include "update.h" #include "respa.h" #include "error.h" #include "fix_lb_fluid.h" #include "modify.h" #include "group.h" using namespace LAMMPS_NS; using namespace FixConst; /* ---------------------------------------------------------------------- */ FixLbViscous::FixLbViscous(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg) { if (narg < 3) error->all(FLERR,"Illegal fix lb/viscous command"); int groupbit_lb_fluid = 0; for(int ifix=0; ifixnfix; ifix++) if(strcmp(modify->fix[ifix]->style,"lb/fluid")==0){ fix_lb_fluid = (FixLbFluid *)modify->fix[ifix]; groupbit_lb_fluid = group->bitmask[modify->fix[ifix]->igroup]; } if(groupbit_lb_fluid == 0) error->all(FLERR,"the lb/fluid fix must also be used if using the lb/viscous fix"); int *mask = atom->mask; int nlocal = atom->nlocal; for(int j=0; jone(FLERR,"to apply a fluid force onto an atom, the lb/fluid fix must be used for that atom."); } } /* ---------------------------------------------------------------------- */ FixLbViscous::~FixLbViscous() { } /* ---------------------------------------------------------------------- */ int FixLbViscous::setmask() { int mask = 0; mask |= POST_FORCE; mask |= POST_FORCE_RESPA; mask |= MIN_POST_FORCE; return mask; } /* ---------------------------------------------------------------------- */ void FixLbViscous::init() { if (strcmp(update->integrate_style,"respa") == 0) nlevels_respa = ((Respa *) update->integrate)->nlevels; } /* ---------------------------------------------------------------------- */ void FixLbViscous::setup(int vflag) { if (strstr(update->integrate_style,"verlet") != NULL) post_force(vflag); else { ((Respa *) update->integrate)->copy_flevel_f(nlevels_respa-1); post_force_respa(vflag,nlevels_respa-1,0); ((Respa *) update->integrate)->copy_f_flevel(nlevels_respa-1); } } /* ---------------------------------------------------------------------- */ void FixLbViscous::min_setup(int vflag) { post_force(vflag); } /* ---------------------------------------------------------------------- */ void FixLbViscous::post_force(int vflag) { // apply drag force to atoms in group // direction is opposed to velocity vector // magnitude depends on atom type double **f = atom->f; int *mask = atom->mask; int nlocal = atom->nlocal; double **hydroF = fix_lb_fluid->hydroF; for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { f[i][0] += hydroF[i][0]; f[i][1] += hydroF[i][1]; f[i][2] += hydroF[i][2]; } } /* ---------------------------------------------------------------------- */ void FixLbViscous::post_force_respa(int vflag, int ilevel, int iloop) { if (ilevel == nlevels_respa-1) post_force(vflag); } /* ---------------------------------------------------------------------- */ void FixLbViscous::min_post_force(int vflag) { post_force(vflag); }