void FixMoveMesh::initial_integrate(int dummy)
{
MultiVectorContainer<double,3,3> *v;
double dt = update->dt;
time_ += update->dt;
time_since_setup_ += update->dt;
if(move_->isFirst())
{
v = mesh_->prop().getElementProperty<MultiVectorContainer<double,3,3> >("v");
v->setAll(0.);
}
// integration
move_->initial_integrate(time_,time_since_setup_,dt);
}
void FixMoveMesh::pre_delete(bool unfixflag)
{
// check if another fix move operates on the same mesh
// which came after me in the imput script
// if so, it is illegal to delete this command
// without first deleting the other
if(unfixflag)
{
int nmove = modify->n_fixes_style("move/mesh");
for(int imove = 0; imove < nmove; imove++)
{
FixMoveMesh* fix_move_mesh = static_cast<FixMoveMesh*>(modify->find_fix_style("move/mesh",imove));
if(fix_move_mesh != this && fix_move_mesh->fixMesh() == fixMesh() && move_->isFirst())
error->all(FLERR,"Illegal deletion of a fix move/mesh. There is another fix move/mesh command active on the same mesh. "
"Superposed fix move/mesh commands must be unfixed in reverse order of creation");
}
move_->pre_delete();
// do not delete property v, as a dump command may still refer to it
// set velocity to zero
MultiVectorContainer<double,3,3> *v;
v = mesh_->prop().getElementProperty<MultiVectorContainer<double,3,3> >("v");
if(v) v->setAll(0.);
// remove reference point if have one
char refpt_id[200];
sprintf(refpt_id, "REFPT_%s",id);
if(mesh_->prop().getGlobalProperty< VectorContainer<double,3> >(refpt_id))
mesh_->prop().removeGlobalProperty(refpt_id);
}
delete move_;
}
void FixMoveMesh::setup(int vflag)
{
time_since_setup_ = 0.;
reset_reference_point();
if(!mesh_->prop().getElementProperty<MultiVectorContainer<double,3,3> >("v"))
{
mesh_->prop().addElementProperty<MultiVectorContainer<double,3,3> >("v","comm_exchange_borders","frame_invariant","restart_no");
}
move_->setup();
// do set-up in case velocity is dumped (called via set-up)
if(move_->isFirst())
{
MultiVectorContainer<double,3,3> *v;
v = mesh_->prop().getElementProperty<MultiVectorContainer<double,3,3> >("v");
v->setAll(0.);
}
}
void FixWallGran::post_force_mesh(int vflag)
{
// contact properties
double force_old[3],force_wall[3],v_wall[3],bary[3];
double delta[3],deltan;
double *c_history = 0;
MultiVectorContainer<double,3,3> *vMeshC;
double ***vMesh;
int nlocal = atom->nlocal;
int nTriAll, iPart;
for(int iMesh = 0; iMesh < n_FixMesh_; iMesh++)
{
TriMesh *mesh = FixMesh_list_[iMesh]->triMesh();
nTriAll = mesh->sizeLocal() + mesh->sizeGhost();
FixContactHistory *fix_contact = FixMesh_list_[iMesh]->contactHistory();
// mark all contacts for delettion at this point
if(fix_contact) fix_contact->markAllContacts();
int *neighborList = 0, *numNeigh = 0;
// get neighborList and numNeigh
FixMesh_list_[iMesh]->meshNeighlist()->getPointers(neighborList, numNeigh);
vectorZeroize3D(v_wall);
vMeshC = mesh->prop().getElementProperty<MultiVectorContainer<double,3,3> >("v");
atom_type_wall_ = FixMesh_list_[iMesh]->atomTypeWall();
// moving mesh
if(vMeshC)
{
vMesh = vMeshC->begin();
// loop owned and ghost triangles
for(int iTri = 0; iTri < nTriAll; iTri++)
{
for(int iCont = 0; iCont < numNeigh[iTri]; iCont++,neighborList++)
{
int iPart = *neighborList;
// do not need to handle ghost particles
if(iPart >= nlocal) continue;
int idTri = mesh->id(iTri);
deltan = mesh->resolveTriSphereContactBary(iTri,radius_ ? radius_[iPart]:r0_ ,x_[iPart],delta,bary);
if(deltan > 0.)
{
}
else
{
if(fix_contact && ! fix_contact->handleContact(iPart,idTri,c_history)) continue;
for(int i = 0; i < 3; i++)
v_wall[i] = (bary[0]*vMesh[iTri][0][i] + bary[1]*vMesh[iTri][1][i] + bary[2]*vMesh[iTri][2][i]);
post_force_eval_contact(iPart,deltan,delta,v_wall,c_history,iMesh,FixMesh_list_[iMesh],mesh,iTri);
}
}
}
}
// non-moving mesh - do not calculate v_wall, use standard distance function
else
{
// loop owned and ghost particles
for(int iTri = 0; iTri < nTriAll; iTri++)
{
for(int iCont = 0; iCont < numNeigh[iTri]; iCont++,neighborList++)
{
int iPart = *neighborList;
// do not need to handle ghost particles
if(iPart >= nlocal) continue;
int idTri = mesh->id(iTri);
deltan = mesh->resolveTriSphereContact(iTri,radius_ ? radius_[iPart]:r0_,x_[iPart],delta);
if(deltan > 0.)
{
}
else
{
if(fix_contact && ! fix_contact->handleContact(iPart,idTri,c_history)) continue;
post_force_eval_contact(iPart,deltan,delta,v_wall,c_history,iMesh,FixMesh_list_[iMesh],mesh,iTri);
}
}
}
}
// clean-up contacts
if(fix_contact) fix_contact->cleanUpContacts();
}
}
void FixWallGran::post_force_mesh(int vflag)
{
// contact properties
double force_old[3],force_wall[3],v_wall[3],bary[3];
double delta[3],deltan;
MultiVectorContainer<double,3,3> *vMeshC;
double ***vMesh;
int nlocal = atom->nlocal;
int nTriAll, iPart;
CollisionData cdata;
cdata.is_wall = true;
for(int iMesh = 0; iMesh < n_FixMesh_; iMesh++)
{
TriMesh *mesh = FixMesh_list_[iMesh]->triMesh();
nTriAll = mesh->sizeLocal() + mesh->sizeGhost();
FixContactHistoryMesh *fix_contact = FixMesh_list_[iMesh]->contactHistory();
// mark all contacts for delettion at this point
if(fix_contact) fix_contact->markAllContacts();
// get neighborList and numNeigh
FixNeighlistMesh * meshNeighlist = FixMesh_list_[iMesh]->meshNeighlist();
vectorZeroize3D(v_wall);
vMeshC = mesh->prop().getElementProperty<MultiVectorContainer<double,3,3> >("v");
atom_type_wall_ = FixMesh_list_[iMesh]->atomTypeWall();
// moving mesh
if(vMeshC)
{
vMesh = vMeshC->begin();
// loop owned and ghost triangles
for(int iTri = 0; iTri < nTriAll; iTri++)
{
const std::vector<int> & neighborList = meshNeighlist->get_contact_list(iTri);
const int numneigh = neighborList.size();
for(int iCont = 0; iCont < numneigh; iCont++)
{
const int iPart = neighborList[iCont];
// do not need to handle ghost particles
if(iPart >= nlocal) continue;
int idTri = mesh->id(iTri);
deltan = mesh->resolveTriSphereContactBary(iPart,iTri,radius_ ? radius_[iPart]:r0_ ,x_[iPart],delta,bary);
if(deltan > skinDistance_) //allow force calculation away from the wall
{
}
else
{
if(fix_contact && ! fix_contact->handleContact(iPart,idTri,cdata.contact_history)) continue;
for(int i = 0; i < 3; i++)
v_wall[i] = (bary[0]*vMesh[iTri][0][i] + bary[1]*vMesh[iTri][1][i] + bary[2]*vMesh[iTri][2][i]);
cdata.i = iPart;
cdata.deltan = -deltan;
cdata.delta[0] = -delta[0];
cdata.delta[1] = -delta[1];
cdata.delta[2] = -delta[2];
post_force_eval_contact(cdata, v_wall,iMesh,FixMesh_list_[iMesh],mesh,iTri);
}
}
}
}
// non-moving mesh - do not calculate v_wall, use standard distance function
else
{
// loop owned and ghost particles
for(int iTri = 0; iTri < nTriAll; iTri++)
{
const std::vector<int> & neighborList = meshNeighlist->get_contact_list(iTri);
const int numneigh = neighborList.size();
for(int iCont = 0; iCont < numneigh; iCont++)
{
const int iPart = neighborList[iCont];
// do not need to handle ghost particles
if(iPart >= nlocal) continue;
int idTri = mesh->id(iTri);
deltan = mesh->resolveTriSphereContact(iPart,iTri,radius_ ? radius_[iPart]:r0_,x_[iPart],delta);
if(deltan > skinDistance_) //allow force calculation away from the wall
{
}
else
{
if(fix_contact && ! fix_contact->handleContact(iPart,idTri,cdata.contact_history)) continue;
cdata.i = iPart;
cdata.deltan = -deltan;
cdata.delta[0] = -delta[0];
cdata.delta[1] = -delta[1];
cdata.delta[2] = -delta[2];
post_force_eval_contact(cdata, v_wall,iMesh,FixMesh_list_[iMesh],mesh,iTri);
}
}
}
}
// clean-up contacts
if(fix_contact) fix_contact->cleanUpContacts();
}
}