unsigned AtomValuePack::setupAtomsFromLinkCells( const std::vector<unsigned>& cind, const Vector& cpos, const LinkCells& linkcells ){
natoms=cind.size(); for(unsigned i=0;i<natoms;++i) indices[i]=cind[i];
linkcells.retrieveNeighboringAtoms( cpos, natoms, indices );
for(unsigned i=0;i<natoms;++i) myatoms[i]=mycolv->getPositionOfAtomForLinkCells( indices[i] ) - cpos;
if( mycolv->usesPbc() ) mycolv->applyPbc( myatoms, natoms );
return natoms;
}
unsigned AtomValuePack::setupAtomsFromLinkCells( const unsigned& cind, const Vector& cpos, const LinkCells& linkcells ){
indices[0]=cind; natoms=1; linkcells.retrieveNeighboringAtoms( cpos, natoms, indices );
myatoms[0]=Vector(0.0,0.0,0.0);
for(unsigned i=1;i<natoms;++i) myatoms[i]=mycolv->getPositionOfAtomForLinkCells( indices[i] ) - cpos;
if( mycolv->usesPbc() ) mycolv->applyPbc( myatoms, natoms );
return natoms;
}