bspline_grid_gbl Module Reference

Data Types
type	bspline_grid_obj
	Parameters of the B-spline orbital. The intention is that the user declares this type in the main progam and specifies: A, B, C, order, l,m and ind, no_bps. This object can then be passed to bspl_functioninit, which checks the parameters and initializes the parameters in the particular bspl_function. The default values of some of the variables below have been chosen so that an error will be triggered by the member procedure check if they have not been set to meaningful values. More...

Functions/Subroutines
integer function	check (this)
subroutine, public	read_BTO (bspline_grid, l, bspline_index, number_of_functions, norm, non_zero_at_boundary, lunit, posit, pos_after_rw, version)
subroutine, public	write_BTO (bspline_grid, l, bspline_index, number_of_functions, norm, non_zero_at_boundary, lunit, posit, pos_after_rw)
subroutine, public	print_BTO (bspline_grid, l, bspline_index, number_of_functions, norm, non_zero_at_boundary)

Function/Subroutine Documentation

check()

integer function bspline_grid_gbl::check

(

class(bspline_grid_obj)

this

)

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print_BTO()

subroutine, public bspline_grid_gbl::print_BTO	(	class(bspline_grid_obj)	bspline_grid,
		integer, intent(in)	l,
		integer, intent(in)	bspline_index,
		integer, intent(in)	number_of_functions,
		real(kind=cfp), intent(in)	norm,
		logical, intent(in)	non_zero_at_boundary )

read_BTO()

subroutine, public bspline_grid_gbl::read_BTO	(	class(bspline_grid_obj)	bspline_grid,
		integer, intent(out)	l,
		integer, intent(out)	bspline_index,
		integer, intent(out)	number_of_functions,
		real(kind=cfp), intent(out)	norm,
		logical, intent(out)	non_zero_at_boundary,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw,
		character(len=line_len), intent(in)	version )

write_BTO()

subroutine, public bspline_grid_gbl::write_BTO	(	class(bspline_grid_obj)	bspline_grid,
		integer, intent(in)	l,
		integer, intent(in)	bspline_index,
		integer, intent(in)	number_of_functions,
		real(kind=cfp), intent(in)	norm,
		logical, intent(in)	non_zero_at_boundary,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw )