dft_radial_grid_types Module

Uses

- precision
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Variables

Type	Visibility	Attributes		Name		Initial
integer,	public,	parameter	::	dft_radial_grid_mhl	=	0	Murray-Handy-Laming grid
integer,	public,	parameter	::	dft_radial_grid_mk3	=	1	Mura-Knowles Log3 grid
integer,	public,	parameter	::	dft_radial_grid_ta	=	2	Treutler-Ahlrichs grid
integer,	public,	parameter	::	dft_radial_grid_becke	=	3	Becke grid
integer,	public,	parameter	::	dft_radial_grid_map_uniform	=	1	Map the uniform grid
integer,	public,	parameter	::	dft_radial_grid_map_cheb2	=	2	Map the Chebyshev 2nd kind grid

Subroutines

public subroutine get_radial_grid(ptrad, wtrad, nrad, rad_grid_type, map_grid)

@brief Set the radial points and weights @param ptrad [inout] quadrature points @param wtrad [inout] quadrature weights @param rad_grid_type [in] type of radial grid @param rad_grid_type [in] which quadrature to map on the selected grid

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(inout)			::	ptrad(nrad)
real(kind=dp),	intent(inout)			::	wtrad(nrad)
integer,	intent(in)			::	nrad
integer,	intent(in)			::	rad_grid_type
integer,	intent(in),	optional		::	map_grid