- Generated on Tue Mar 23 2021 14:17:10 for CASM by
1.9.1
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CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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#include <SuperlatticeEnumerator.hh>
A fake container of supercell matrices.
Provides iterators over symmetrically unique superlattices.
Definition at line 204 of file SuperlatticeEnumerator.hh.
Public Types | |
| typedef long int | size_type |
| typedef SuperlatticeIterator | const_iterator |
Public Member Functions | |
| SuperlatticeEnumerator (const Lattice &unit, const SymOpVector &point_grp, const ScelEnumProps &enum_props) | |
| Construct a SuperlatticeEnumerator using custom point group operations. More... | |
| template<typename ExternSymGroupTypeIt > | |
| SuperlatticeEnumerator (ExternSymGroupTypeIt begin, ExternSymGroupTypeIt end, const Lattice &unit, const ScelEnumProps &enum_props) | |
| const Lattice & | unit () const |
| Access the unit the is being made into superlattices. More... | |
| const SymOpVector & | point_group () const |
| Access the unit point group. More... | |
| void | begin_volume (size_type _begin_volume) |
| Set the beginning volume. More... | |
| size_type | begin_volume () const |
| Get the beginning volume. More... | |
| void | end_volume (size_type _end_volume) |
| Set the end volume. More... | |
| size_type | end_volume () const |
| Get the end volume. More... | |
| const Eigen::Matrix3i & | gen_mat () const |
| Get the transformation matrix that's being applied to the unit vectors. More... | |
| int | dimension () const |
| Get the dimensions of the enumerator (1D, 2D or 3D) More... | |
| const_iterator | begin () const |
| A const iterator to the beginning volume, specify here how the iterator should jump through the enumeration. More... | |
| const_iterator | end () const |
| A const iterator to the past-the-last volume. More... | |
| const_iterator | cbegin () const |
| A const iterator to the beginning volume. More... | |
| const_iterator | cend () const |
| A const iterator to the past-the-last volume. More... | |
| const_iterator | citerator (size_type volume) const |
| A const iterator to a specified volume. More... | |
Private Attributes | |
| const Lattice | m_unit |
| The unit cell of the supercells. More... | |
| SymOpVector | m_point_group |
| The lattice of the unit cell. More... | |
| const int | m_begin_volume |
| The first volume supercells to be iterated over (what cbegin uses) More... | |
| const int | m_end_volume |
| The past-the-last volume supercells to be iterated over (what cend uses) More... | |
| const Eigen::Matrix3i | m_gen_mat |
| This matrix (G) specifies new lattice vectors to enumerate over column-wise, such that the resulting transformation matrix is G*B, where B is the block matrix constructed out of the HermiteCounter matrix H. More... | |
| const int | m_dims |
| The number of lattice directions the enumeration is being done in. More... | |
1.9.1