basis_sets Module Reference

Data Types
type	primitive
	Most simple kind of atomic orbital. More...

Functions/Subroutines
subroutine	hydrogenorbitalsparameters (atomicNumber, n, l, parameters)
subroutine	h_3_parameters (atomicNumber, n, l, parameters)
subroutine	coulsonorbitalsparameters (atomicNumber, n, l, parameters)

Detailed Description

Author

???

Todo:

Write everything to a file.

Calulate the rest of the coefficients.

Function/Subroutine Documentation

coulsonorbitalsparameters()

subroutine basis_sets::coulsonorbitalsparameters	(	integer, intent(in)	atomicNumber,
		integer, intent(in)	n,
		integer, intent(in)	l,
		real, dimension(:,:), intent(out), allocatable	parameters
	)

h_3_parameters()

subroutine basis_sets::h_3_parameters	(	integer, intent(in)	atomicNumber,
		integer, intent(in)	n,
		integer, intent(in)	l,
		real, dimension(:,:), intent(out), allocatable	parameters
	)

hydrogenorbitalsparameters()

subroutine basis_sets::hydrogenorbitalsparameters	(	integer, intent(in)	atomicNumber,
		integer, intent(in)	n,
		integer, intent(in)	l,
		real, dimension(:,:), intent(out), allocatable	parameters
	)