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SIRIUS 7.5.0
Electronic structure library and applications
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Files | |
| file | check_gvec.hpp [code] |
| Check G-vector symmetry. | |
| file | crystal_symmetry.cpp [code] |
| Contains implementation of sirius::Crystal_symmetry class. | |
| file | crystal_symmetry.hpp [code] |
| Contains definition and partial implementation of sirius::Crystal_symmetry class. | |
| file | get_irreducible_reciprocal_mesh.hpp [code] |
| Find the irriducible k-points of the Brillouin zone. | |
| file | lattice.hpp [code] |
| Crystal lattice functions. | |
| file | rotation.hpp [code] |
| Generate rotation matrices and related entities. | |
| file | symmetrize_density_matrix.hpp [code] |
| Symmetrize density matrix of LAPW and PW methods. | |
| file | symmetrize_field4d.hpp [code] |
| Symmetrize density and potential fields (scalar + vector). | |
| file | symmetrize_forces.hpp [code] |
| Symmetrize atomic forces. | |
| file | symmetrize_mt_function.hpp [code] |
| Symmetrize muffin-tin spheric functions. | |
| file | symmetrize_occupation_matrix.hpp [code] |
| Symmetrize occupation matrix of the LDA+U method. | |
| file | symmetrize_pw_function.hpp [code] |
| Symmetrize plane-wave coefficients of regular-grid function. | |
| file | symmetrize_stress_tensor.hpp [code] |
| Symmetrize lattice stress tensor. | |