dipelm_types::bound Interface Reference

Holds set of bound states. More...

Public Member Functions
procedure, pass	print (this, iwrite)
type(bound) function	new_bound (nb)

Public Attributes
integer, dimension(:), allocatable	stot
	Spin of each state.
integer, dimension(:), allocatable	mtot
	Symmetry of each state.
integer, dimension(:), allocatable	gutot
	Gerade/ungerade character of each state.
real(idp), dimension(:), allocatable	energies
	Bound state energy of each state (Hartree).

Detailed Description

Holds set of bound states.

Holds arrays describing bound state quantum numbers and energies. Array size is equal to the number of bound states.

Note: naming conventions are a holdover from the diatomic version of the UKRmol codes where the z-component of the total angular momentum was a good quantum number.

Member Function/Subroutine Documentation

new_bound()

type(bound) function dipelm_types::bound::new_bound

(

integer

nb

)

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print()

procedure, pass dipelm_types::bound::print	(	class(bound)	this,
		integer	iwrite )

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Member Data Documentation

energies

real(idp), dimension(:), allocatable dipelm_types::bound::energies

Bound state energy of each state (Hartree).

gutot

integer, dimension(:), allocatable dipelm_types::bound::gutot

Gerade/ungerade character of each state.

mtot

integer, dimension(:), allocatable dipelm_types::bound::mtot

Symmetry of each state.

stot

integer, dimension(:), allocatable dipelm_types::bound::stot

Spin of each state.

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The documentation for this interface was generated from the following file:

• /scratch.ssd/codes/ukrmol-out-git/source/dipelm/dipelm_types.f90