Documentation for module orbital_transformation_matrices

Calculation of the spherical harmonics and the corresponding orbital transformation matrices.

source: orbital_transformation_matrices.F
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public Subroutines/Functions:

Deallocate the orbital transformation matrices.
Initialize or update the orbital transformation matrices.

Other:

REAL(dp),
ALLOCATABLE :: c2s_tramat(:,:)
POINTER :: orbtramat(:)

SUBROUTINEdeallocate_spherical_harmonics()

Deallocate the orbital transformation matrices.

SUBROUTINEinit_spherical_harmonics(maxl, output_unit)

Initialize or update the orbital transformation matrices.

Arguments:
INTEGER,
INTENT(in)
:: maxl ...
INTEGER
:: output_unit ...

private Parameters/Types:

private Types:

TYPE :: orbtramat_type

...


REAL(dp),
DIMENSION(:,:), POINTER :: c2s ...
REAL(dp),
DIMENSION(:,:), POINTER :: slm ...
REAL(dp),
DIMENSION(:,:), POINTER :: s2c ...