void VirtualParticleSet::init_minimum(int nptcl)
{
//make R, ID and GroupID available
initBase();
Lattice = myPtcl->Lattice;
PrimitiveLattice = myPtcl->PrimitiveLattice;
create(nptcl);
ratios.resize(nptcl);
if(myPtcl->DistTables.size())
{
DistTables.resize(myPtcl->DistTables.size());
DistTables[0]=createDistanceTable(*myPtcl,*this);
for(int i=1; i<myPtcl->DistTables.size(); ++i)
DistTables[i]=createDistanceTable(myPtcl->DistTables[i]->origin(),*this);
for(int i=0; i<DistTables.size(); ++i)
DistTables[i]->ID=i;
}
}
///** add a distance table to DistTables list
// * @param d_table pointer to a DistanceTableData to be added
// *
// * DistTables is a list of DistanceTables which are updated by MC moves.
// */
//void ParticleSet::addTable(DistanceTableData* d_table) {
// int oid=d_table->origin().tag();
// int i=0;
// int dsize=DistTables.size();
// while(i<dsize) {
// if(oid == DistTables[i]->origin().tag()) //table already exists
// return;
// ++i;
// }
// DistTables.push_back(d_table);
//}
int ParticleSet::addTable(const ParticleSet& psrc)
{
if (DistTables.empty())
{
DistTables.reserve(4);
DistTables.push_back(createDistanceTable(*this));
//add this-this pair
myDistTableMap.clear();
myDistTableMap[ObjectTag]=0;
app_log() << " ... ParticleSet::addTable Create Table #0 " << DistTables[0]->Name << endl;
DistTables[0]->ID=0;
if (psrc.tag() == ObjectTag)
return 0;
}
if (psrc.tag() == ObjectTag)
{
app_log() << " ... ParticleSet::addTable Reuse Table #" << 0 << " " << DistTables[0]->Name <<endl;
return 0;
}
int tsize=DistTables.size(),tid;
map<int,int>::iterator tit(myDistTableMap.find(psrc.tag()));
if (tit == myDistTableMap.end())
{
tid=DistTables.size();
DistTables.push_back(createDistanceTable(psrc,*this));
myDistTableMap[psrc.tag()]=tid;
DistTables[tid]->ID=tid;
app_log() << " ... ParticleSet::addTable Create Table #" << tid << " " << DistTables[tid]->Name <<endl;
}
else
{
tid = (*tit).second;
app_log() << " ... ParticleSet::addTable Reuse Table #" << tid << " " << DistTables[tid]->Name << endl;
}
app_log().flush();
return tid;
}
