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JDFTx
1.2.1
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JDFTx
1.2.1
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Files | |
| file | Euler.h |
| Various Euler angle related utilities. | |
| file | S2quad.h |
| Quadratures on S2 used to generate quadratures on SO(3) | |
| file | SO3quad.h |
| Quadratures for SO(3) | |
Classes | |
| struct | S2quad |
| Abstract base class for a S2 quadrature definition (used to generate the SO3 qudarature) More... | |
| class | EulerProduct |
| Outer-product quadrature on ZYZ euler angles. More... | |
| class | Tetrahedron |
| Tetrahedron rotation group. More... | |
| class | Octahedron |
| Octahedron rotation group. More... | |
| class | Icosahedron |
| Icosahedron rotation group. More... | |
| class | S2_7design_24 |
| Spherical 7-design with 24 nodes. More... | |
| class | S2_8design_36 |
| Spherical 8-design with 36 nodes. More... | |
| class | S2_9design_48 |
| Spherical 9-design with 48 nodes. More... | |
| class | S2_10design_60 |
| Spherical 10-design with 60 nodes. More... | |
| class | S2_11design_70 |
| Spherical 11-design with 70 nodes. More... | |
| class | S2_12design_84 |
| Spherical 12-design with 84 nodes. More... | |
| class | S2_13design_94 |
| Spherical 13-design with 94 nodes. More... | |
| class | S2_14design_108 |
| Spherical 14-design with 108 nodes. More... | |
| class | S2_15design_120 |
| Spherical 15-design with 120 nodes. More... | |
| class | S2_16design_144 |
| Spherical 16-design with 144 nodes. More... | |
| class | S2_17design_156 |
| Spherical 17-design with 156 nodes. More... | |
| class | S2_18design_180 |
| Spherical 18-design with 180 nodes. More... | |
| class | S2_19design_204 |
| Spherical 19-design with 204 nodes. More... | |
| class | S2_20design_216 |
| Spherical 20-design with 216 nodes. More... | |
| class | S2_21design_240 |
| Spherical 21-design with 240 nodes. More... | |
| class | SO3quad |
| Quadrature for SO(3) More... | |
Enumerations | |
| enum | S2quadType { QuadEuler, QuadTetrahedron, QuadOctahedron, QuadIcosahedron, Quad7design_24, Quad8design_36, Quad9design_48, Quad10design_60, Quad11design_70, Quad12design_84, Quad13design_94, Quad14design_108, Quad15design_120, Quad16design_144, Quad17design_156, Quad18design_180, Quad19design_204, Quad20design_216, Quad21design_240 } |
| List of available quadratures. | |
Functions | |
| vector3 | polarUnitVector (double alpha, double beta) |
| Get the position of the new Z-axis, given alpha and beta (does not depend on gamma) | |
| void | getEulerAxis (const vector3<> &newZ, vector3<> &euler) |
| Calculates euler[0]=alpha and euler[1]=beta given newZ, the direction of the Z-axis in the rotated frame. | |
| matrix3 | matrixFromEuler (const vector3<> &euler) |
| Calculate rotation matrices from euler angles. | |
| vector3 | eulerFromMatrix (const matrix3<> &mat) |
| Calculate euler angles from rotation matrices. | |
| double | wigner_d (const int j, const int m1, const int m2, const double beta) |
| Wigner d-function d^j_{m1 m2}(beta) for ZYZ Euler angles. | |
1.8.11