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'");
}
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;
}