CASM
AClustersApproachtoStatisticalMechanics
|
Represents a supercell of the primitive parent crystal structure.
Modules | |
Supercell Enumerators | |
Enumerates Supercell. | |
Classes | |
class | CASM::Supercell |
Represents a supercell of the primitive parent crystal structure. More... | |
Functions | |
Supercell & | CASM::apply (const SymOp &op, Supercell &scel) |
Supercell | CASM::copy_apply (const SymOp &op, const Supercell &scel) |
std::string | CASM::generate_name (const Eigen::Matrix3i &transf_mat) |
template<typename ConfigIterType > | |
void | CASM::Supercell::add_unique_canon_configs (ConfigIterType it_begin, ConfigIterType it_end) |
template<typename ConfigIterType > | |
void | CASM::Supercell::add_configs (ConfigIterType it_begin, ConfigIterType it_end) |
void CASM::Supercell::add_configs | ( | ConfigIterType | it_begin, |
ConfigIterType | it_end | ||
) |
Definition at line 496 of file Supercell.hh.
void CASM::Supercell::add_unique_canon_configs | ( | ConfigIterType | it_begin, |
ConfigIterType | it_end | ||
) |
Definition at line 465 of file Supercell.hh.
Supercell & CASM::apply | ( | const SymOp & | op, |
Supercell & | scel | ||
) |
Definition at line 1267 of file Supercell.cc.
Supercell CASM::copy_apply | ( | const SymOp & | op, |
const Supercell & | scel | ||
) |
Definition at line 1271 of file Supercell.cc.
std::string CASM::generate_name | ( | const Eigen::Matrix3i & | transf_mat | ) |
Definition at line 1276 of file Supercell.cc.