SIRIUS 7.5.0
Electronic structure library and applications
symmetry Directory Reference

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.