orbital_routines_gbl Module Reference

Functions/Subroutines
integer function, public	check_orbital (number_of_functions, number_of_coefficients, coefficients, spin, energy, occup, irr, point_group)
	Checks that data for orbital_data_obj are internally consistent. More...
subroutine, public	write_orbital (number_of_functions, number_of_coefficients, coefficients, spin, energy, occup, irr, point_group, norm, lunit, posit, pos_after_rw)
subroutine, public	read_orbital (number_of_functions, number_of_coefficients, coefficients, spin, energy, occup, irr, point_group, norm, lunit, posit, pos_after_rw)

Function/Subroutine Documentation

check_orbital()

integer function, public orbital_routines_gbl::check_orbital	(	integer, intent(in)	number_of_functions,
		integer, intent(in)	number_of_coefficients,
		real(kind=cfp), dimension(:,:), allocatable	coefficients,
		integer, dimension(:), allocatable	spin,
		real(kind=cfp), dimension(:), allocatable	energy,
		real(kind=cfp), dimension(:), allocatable	occup,
		integer, intent(in)	irr,
		integer, intent(in)	point_group
	)

Checks that data for orbital_data_obj are internally consistent.

read_orbital()

subroutine, public orbital_routines_gbl::read_orbital	(	integer, intent(out)	number_of_functions,
		integer, intent(out)	number_of_coefficients,
		real(kind=cfp), dimension(:,:), allocatable	coefficients,
		integer, dimension(:), allocatable	spin,
		real(kind=cfp), dimension(:), allocatable	energy,
		real(kind=cfp), dimension(:), allocatable	occup,
		integer, intent(out)	irr,
		integer, intent(out)	point_group,
		real(kind=cfp), intent(out)	norm,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw
	)

write_orbital()

subroutine, public orbital_routines_gbl::write_orbital	(	integer, intent(in)	number_of_functions,
		integer, intent(in)	number_of_coefficients,
		real(kind=cfp), dimension(:,:), allocatable	coefficients,
		integer, dimension(:), allocatable	spin,
		real(kind=cfp), dimension(:), allocatable	energy,
		real(kind=cfp), dimension(:), allocatable	occup,
		integer, intent(in)	irr,
		integer, intent(in)	point_group,
		real(kind=cfp), intent(in)	norm,
		integer, intent(in)	lunit,
		integer, intent(in)	posit,
		integer, intent(out)	pos_after_rw
	)