orbital_pointers Module Reference

Provides Cartesian and spherical orbital pointers and indices. More...

Functions/Subroutines
subroutine, public	deallocate_orbital_pointers ()
	Deallocate the orbital pointers.
subroutine, public	init_orbital_pointers (maxl)
	Initialize or update the orbital pointers.

Variables
integer, save, public	current_maxl = -1
integer, dimension(:), allocatable, public	nco
integer, dimension(:), allocatable, public	ncoset
integer, dimension(:), allocatable, public	nso
integer, dimension(:), allocatable, public	nsoset
integer, dimension(:, :), allocatable, public	indco
integer, dimension(:, :), allocatable, public	indso
integer, dimension(:, :), allocatable, public	indso_inv
integer, dimension(:, :), allocatable, public	soset
integer, dimension(:, :, :), allocatable, public	co
integer, dimension(:, :, :), allocatable, public	coset

Detailed Description

Provides Cartesian and spherical orbital pointers and indices.

History

• reallocate eliminated (17.07.2002,MK)
• restructured and cleaned (20.05.2004,MK)

Author

Matthias Krack (07.06.2000)

Function/Subroutine Documentation

deallocate_orbital_pointers()

subroutine, public orbital_pointers::deallocate_orbital_pointers

Deallocate the orbital pointers.

Date

20.05.2005

Author

MK

Version

1.0

Definition at line 210 of file orbital_pointers.F.

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init_orbital_pointers()

subroutine, public orbital_pointers::init_orbital_pointers

(

integer, intent(in)

maxl

)

Initialize or update the orbital pointers.

Parameters

maxl

...

Date

07.06.2000

Author

MK

Version

1.0

Definition at line 252 of file orbital_pointers.F.

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Variable Documentation

current_maxl

integer, save, public orbital_pointers::current_maxl = -1

Definition at line 40 of file orbital_pointers.F.

nco

integer, dimension(:), allocatable, public orbital_pointers::nco

Definition at line 42 of file orbital_pointers.F.

ncoset

integer, dimension(:), allocatable, public orbital_pointers::ncoset

Definition at line 42 of file orbital_pointers.F.

nso

integer, dimension(:), allocatable, public orbital_pointers::nso

Definition at line 42 of file orbital_pointers.F.

nsoset

integer, dimension(:), allocatable, public orbital_pointers::nsoset

Definition at line 42 of file orbital_pointers.F.

indco

integer, dimension(:, :), allocatable, public orbital_pointers::indco

Definition at line 43 of file orbital_pointers.F.

indso

integer, dimension(:, :), allocatable, public orbital_pointers::indso

Definition at line 43 of file orbital_pointers.F.

indso_inv

integer, dimension(:, :), allocatable, public orbital_pointers::indso_inv

Definition at line 43 of file orbital_pointers.F.

soset

integer, dimension(:, :), allocatable, public orbital_pointers::soset

Definition at line 44 of file orbital_pointers.F.

co

integer, dimension(:, :, :), allocatable, public orbital_pointers::co

Definition at line 45 of file orbital_pointers.F.

coset

integer, dimension(:, :, :), allocatable, public orbital_pointers::coset

Definition at line 45 of file orbital_pointers.F.