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. | |