CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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#include "casm/database/ScelDatabaseTools.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/crystallography/CanonicalForm.hh"
#include "casm/crystallography/Structure.hh"
Go to the source code of this file.
Namespaces | |
CASM | |
Main CASM namespace. | |
CASM::DB | |
Functions | |
Supercell const & | CASM::DB::canonical_supercell (Supercell const &supercell, Database< Supercell > &supercell_db) |
std::pair< Database< Supercell >::iterator, bool > | CASM::DB::make_canonical_and_insert (std::shared_ptr< Structure const > const &shared_prim, Lattice const &super_lattice, Database< Supercell > &supercell_db) |
Make canonical supercell and insert into supercell database. More... | |
std::pair< Database< Supercell >::iterator, bool > | CASM::DB::make_canonical_and_insert (std::shared_ptr< Structure const > const &shared_prim, Eigen::Matrix3l const &transformation_matrix_to_super, Database< Supercell > &supercell_db) |
Make canonical supercell and insert into supercell database. More... | |
std::pair< Database< Supercell >::iterator, bool > | CASM::DB::make_canonical_and_insert (Supercell const &supercell, Database< Supercell > &supercell_db) |
Make canonical supercell and insert into supercell database. More... | |