Documentation for module lebedev

Generation of the spherical Lebedev grids. All Lebedev grids were generated with a precision of at least 33 digits (Mathematica). Thus the Lebedev abscissas and weights are accurate to 32 digits (quadruple precision).

source: lebedev.F
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public Subroutines/Functions:

...
FUNCTION
INTEGER
get_number_of_lebedev_grid (l, n)
Get the number of the Lebedev grid, which has the requested angular momentum quantnum number l or size n.
SUBROUTINE
init_lebedev_grids
Load the coordinates and weights of the nonredundant Lebedev grid points.

Module variables:

TYPE(oh_grid),
TARGET :: lebedev_grid(NLG)

SUBROUTINEdeallocate_lebedev_grids()

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FUNCTIONget_number_of_lebedev_grid(l, n)

Get the number of the Lebedev grid, which has the requested angular momentum quantnum number l or size n.

Return Value ::
INTEGER
Arguments:
INTEGER,
INTENT(in),
OPTIONAL
:: l ...
INTEGER,
INTENT(in),
OPTIONAL
:: n ...

SUBROUTINEinit_lebedev_grids()

Load the coordinates and weights of the nonredundant Lebedev grid points.


private Parameters/Types:

private Types:

TYPE :: oh_grid

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INTEGER
:: l ...
INTEGER
:: n ...
REAL(dp),
DIMENSION(:), POINTER :: w => NULL() ...
REAL(dp),
DIMENSION(:,:), POINTER :: r => NULL() ...