#include <SupercellEnumerator.hh>
Data structure for holding supercell enumeration properties.
Definition at line 30 of file SupercellEnumerator.hh.
| CASM::ScelEnumProps::ScelEnumProps |
( |
size_type |
begin_volume, |
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|
size_type |
end_volume, |
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std::string |
dirs = "abc", |
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Eigen::Matrix3i |
generating_matrix = Eigen::Matrix3i::Identity() |
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) |
| |
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inline |
Constructor.
- Parameters
-
| begin_volume | The beginning volume to enumerate |
| end_volume | The past-the-last volume to enumerate |
| dirs | String indicating which lattice vectors to enumerate over. Some combination of 'a', 'b', and 'c', where 'a' indicates the first lattice vector of the unit cell, 'b' the second, and 'c' the third. |
| generating_matrix | This matrix, G, transforms the primitive lattice vectors into the unit cell lattice vectors which are used to generate supercells. So the generated supercells, S = P*G*T, where S and P are column vector matrices of the supercell and primitive cell, respectively, and G and T are integer tranformation matrices. |
Definition at line 49 of file SupercellEnumerator.hh.
| size_type CASM::ScelEnumProps::begin_volume |
( |
| ) |
const |
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inline |
| int CASM::ScelEnumProps::dims |
( |
| ) |
const |
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inline |
| std::string CASM::ScelEnumProps::dirs |
( |
| ) |
const |
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inline |
| size_type CASM::ScelEnumProps::end_volume |
( |
| ) |
const |
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inline |
| Eigen::Matrix3i CASM::ScelEnumProps::generating_matrix |
( |
| ) |
const |
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inline |
| size_type CASM::ScelEnumProps::m_begin_volume |
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private |
| int CASM::ScelEnumProps::m_dims |
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private |
| std::string CASM::ScelEnumProps::m_dirs |
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private |
| Eigen::Matrix3i CASM::ScelEnumProps::m_gen_mat |
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private |
The documentation for this class was generated from the following file:
1.8.8 
