Beispiel #1
0
FixContactPropertyAtomWall::FixContactPropertyAtomWall(LAMMPS *lmp, int narg, char **arg) :
  FixContactPropertyAtom(lmp, narg, arg),
  fix_mesh_surface_(0),
  fix_nneighs_(0),
  primitive_wall_(0)
{
    // read style: primitive or mesh
    if(narg-iarg_ < 2)
     error->fix_error(FLERR,this,"not enough parameters");

    // parse further args
    if (strcmp(arg[iarg_],"primitive") == 0)
    {
        iarg_++;
        FixWallGran *fwg = static_cast<FixWallGran*>(modify->find_fix_id(arg[iarg_++]));
        if(!fwg)
            error->fix_error(FLERR,this,"illegal FixWallGran id");
        primitive_wall_ = fwg->primitiveWall();
    }
    else if (strcmp(arg[iarg_],"mesh") == 0)
    {
        iarg_++;
        fix_mesh_surface_ = static_cast<FixMeshSurface*>(modify->find_fix_id(arg[iarg_++]));
        if(!fix_mesh_surface_)
            error->fix_error(FLERR,this,"illegal FixMeshSurface id");

        fix_nneighs_ = fix_mesh_surface_->meshNeighlist()->fix_nneighs();
    }
    else
        error->fix_error(FLERR,this,"expecting 'primitive' or 'mesh'");
}
Beispiel #2
0
void FixContinuumWeighted::init()
{
    pairgran_ = (PairGran*)force->pair_match("gran",0);

    // contact forces between a pair
    fix_contact_forces_ = static_cast<FixContactPropertyAtom*>(modify->find_fix_id("contactforces_stress_"));
    if(!fix_contact_forces_)
        error->fix_error(FLERR,this,"Internal error: need fix contactforces_stress_");

    // contact forces between particle & walls:
    fix_wall_contact_forces_vector_.clear();

    int nwalls = modify->n_fixes_style("wall/gran");
    for(int iwall = 0; iwall < nwalls; iwall++)
    {
        FixWallGran *fwg = static_cast<FixWallGran*>(modify->find_fix_style("wall/gran",iwall));

        if(!fwg->store_force_contact_stress())
            error->fix_error(FLERR,this,"Internal error: contact forces for stress computation are not stored (make sure this fix is added before the wall fixes or use the explicit store_force_contact_stress option in those fixes)");

        if(fwg->is_mesh_wall())
        {
            
            int n_meshes = fwg->n_meshes();
            for(int imesh = 0; imesh < n_meshes; imesh++)
            {
                char fixid[200];
                sprintf(fixid,"contactforces_stress_%s",(fwg->mesh_list())[imesh]->id);

                FixContactPropertyAtomWall *fix_contact_wall = static_cast<FixContactPropertyAtomWall*>(modify->find_fix_id(fixid));
                if(!fix_contact_wall)
                    error->fix_error(FLERR,this,"Internal error: need fix contactforces");

                fix_wall_contact_forces_vector_.push_back(fix_contact_wall);
            }
        }
        else
        {
            
            char fixid[200];
            sprintf(fixid,"contactforces_stress_%s",fwg->id);

            FixContactPropertyAtomWall *fix_contact_wall = static_cast<FixContactPropertyAtomWall*>(modify->find_fix_id(fixid));
            if(!fix_contact_wall)
                error->fix_error(FLERR,this,"Internal error: need fix contactforces");

            fix_wall_contact_forces_vector_.push_back(fix_contact_wall);
        }
    }

}
void ComputePairGranLocal::init_cpgl(bool requestflag)
{
  int ifix, n_wall_fixes;
  FixWallGran *fwg;

  newton_pair = force->newton_pair;

  if (idflag && atom->tag_enable == 0)
      error->all(FLERR,"Compute pair/gran/local requested to compute IDs, this requires atoms have IDs.");

  // if available from previous run, unregister
  if(pairgran && reference_exists)
      pairgran->unregister_compute_pair_local(this);

  if(fixwall && reference_exists)
      fixwall->unregister_compute_wall_local(this);

  if(fixheat && reference_exists)
      fixheat->unregister_compute_pair_local(this);

  fixwall = NULL;
  fixheat = NULL;
  pairgran = NULL;

  // register heat transfer fix for pair data
  if(wall == 0)
  {
      if (force->pair == NULL)
        error->all(FLERR,"No pair style is defined for compute pair/gran/local");

      pairgran = (PairGran*)force->pair_match("gran",0);

      if (pairgran == NULL)
        error->all(FLERR,"No valid granular pair style found for use with compute pair/gran/local");

      if (pairgran->cplenable() == 0)
        error->all(FLERR,"Pair style does not support compute pair/gran/local");

      pairgran->register_compute_pair_local(this,dnum);

      if(requestflag)
      {
          
          int irequest = neighbor->request((void *) this);
          neighbor->requests[irequest]->pair = 0;
          neighbor->requests[irequest]->compute = 1;
          neighbor->requests[irequest]->half = 0;
          neighbor->requests[irequest]->gran = 1;
          //neighbor->requests[irequest]->granhistory = 1;
          neighbor->requests[irequest]->occasional = 1;
      }

      // register heat transfer fix if applicable
      if(hfflag)
      {
          for(ifix = 0; ifix < modify->nfix; ifix++)
          {
              if(strcmp(modify->fix[ifix]->style,"heat/gran/conduction") == 0)
              {
                  fixheat = static_cast<FixHeatGranCond*>(modify->fix[ifix]);
              }
          }
          if(!fixheat) error->warning(FLERR,"Compute pair/gran/local can not calculate heat flux values since no fix heat/gran/conduction not compute them");

          // group of this compute and heat transfer fix must be same so same number of pairs is computed
          if(groupbit != fixheat->groupbit) error->all(FLERR,"Compute pair/gran/local group and fix heat/gran/conduction group cannot be different");
          fixheat->register_compute_pair_local(this);
      }
  }
  // register with granular wall, only accept mesh walls
  else
  {
      if(fixwall) fixwall->unregister_compute_wall_local(this);
      fixwall = NULL;

      n_wall_fixes = modify->n_fixes_style("wall/gran");

      for(ifix = 0; ifix < n_wall_fixes; ifix++)
      {
          fwg = static_cast<FixWallGran*>(modify->find_fix_style("wall/gran",ifix));
          if(fwg->is_mesh_wall()) fixwall = fwg;
      }

      if(!fixwall) error->all(FLERR,"Compute wall/gran/local requires a fix of type wall/gran using one or more mesh walls. This fix has come before the compute in the script");
      fixwall->register_compute_wall_local(this,dnum);
  }

  // at this point we know that ptr is valid
  reference_exists = 1;

  if(hflag && dnum == 0) error->all(FLERR,"Compute pair/gran/local or wall/gran/local can not calculate history values since pair or wall style does not compute them");
  // standard values: pos1,pos2,id1,id2,extra id for mesh wall,force,torque,contact area

  nvalues = posflag*6 + velflag*6 + idflag*3 + fflag*3 + tflag*3 + hflag*dnum + aflag + hfflag;
  size_local_cols = nvalues;

}