1 #ifndef CASM_SiteExchanger_HH
2 #define CASM_SiteExchanger_HH
35 const std::vector<std::vector<std::vector<int> > > &
possible_swap()
const {
std::vector< int > m_sublat
m_sublat[i] is the sublattice index for site m_variable_sites[i]
SiteExchanger(const Supercell &scel)
Constructor determine possible swaps in the given Supercell.
const std::vector< std::vector< int > > & sublat_to_mol() const
Map the integer values from the possible swaps or variable sites arrays into actual species.
const std::vector< std::vector< std::vector< int > > > & possible_swap() const
For a given sublattice with a particular occupant, show what OTHER occupants it could be.
const std::vector< Index > & variable_sites() const
std::vector of indices into occupation array of ConfigDoF that have more than one allowed occupant
std::vector< Index > m_variable_sites
std::vector of indices into occupation array of m_confdof that have more than one allowed occupant
const std::vector< int > & sublattice() const
sublattice()[i] is the sublattice index for site variable_sites()[i]
std::vector< std::vector< int > > m_sublat_to_mol
Map the integer values from the possible swaps or variable sites arrays into actual species m_sublat_...
std::vector< std::vector< std::vector< int > > > m_possible_swap
For a given sublattice with a particular occupant, show what OTHER occupants it could be m_possible_s...
Represents a supercell of the primitive parent crystal structure.