jj2lsj_code Module Reference

Data Types
type	as_function_ls
type	asf_basis_ls
type	cs_function_ls
type	csf_basis_ls
type	lsj_list
type	nl
type	parent_from_jj

Functions/Subroutines
subroutine, public	asf2ls (iw1, ithresh, levmax, IBLKNUM, levels, NCFMIN, NCFMAX)
real(double) function, public	coeflsjj (l_shell, N, w, Q, L, S, J, jm_shell, Nm, Qm, Jm, jp_shell, Qp, Jp)
real(double) function, private	coeflsjj2 (l_shell, L, S, J, jm_shell, jp_shell)
real(double) function, private	coeflsjjs (lshell, N, w, Q, L, S, J, Nm, Qm, Jm, Qp, Jp)
subroutine, public	dallocasfls (asf_set_LS)
subroutine, public	getchls (csf_number, shell_number, string_LS, string_XLS)
subroutine, public	getxj
subroutine, public	gettermls (l_shell, N, LS, number)
subroutine, public	inscreen (THRESH, levels, number_of_levels, ioutC, ioutj, UNIQUE)
subroutine, public	inscreenlev (record, levels, number_of_levels, fail)
subroutine, public	jj2lsj
subroutine, public	packlscsf (csf_set_LS, csf_number, string_CSF)
subroutine, public	prcsfjj (stream, csf_number, csf_number_local)
subroutine, public	prcsfls (stream, csf_set_LS, csf_number)
subroutine, public	prcsflsall (stream, csf_set_LS, Before_J)
subroutine, private	setls (ithresh, NCFMIN, NCFMAX)
real(double) function, public	tralsjj (jj_number, LS_number)
real(double) function, public	tralsjjmp (shell_number, jj_number, LS_number)
subroutine, private	uniquelsj

Variables
type(asf_basis_ls), public	asf_set_ls
integer, private	imincompoff
integer, dimension(:,:), pointer	jcoup
real(double)	epsnew
real(double)	mincomp
character(len=1), dimension(0:20), parameter, private	l_string = (/ "S","P","D","F","G","H","I","K","L","M","N","O","Q", "R","T","U","V","W","X","Y","Z" /)
integer, parameter	blocks_number = 20
integer, parameter	vectors_number = 100000

Function/Subroutine Documentation

asf2ls()

subroutine, public jj2lsj_code::asf2ls	(	integer, intent(in)	iw1,
		integer, dimension(:), intent(in)	ithresh,
		integer, intent(in)	levmax,
		integer, intent(in)	IBLKNUM,
		integer, dimension(blocks_number,vectors_number), intent(in)	levels,
		integer, intent(in)	NCFMIN,
		integer, intent(in)	NCFMAX
	)

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coeflsjj()

real(double) function, public jj2lsj_code::coeflsjj	(	integer, intent(in)	l_shell,
		integer, intent(in)	N,
		integer, intent(in)	w,
		integer, intent(in)	Q,
		integer, intent(in)	L,
		integer, intent(in)	S,
		integer, intent(in)	J,
		integer, intent(in)	jm_shell,
		integer, intent(in)	Nm,
		integer, intent(in)	Qm,
		integer, intent(in)	Jm,
		integer, intent(in)	jp_shell,
		integer, intent(in)	Qp,
		integer, intent(in)	Jp
	)

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coeflsjj2()

real(double) function, private jj2lsj_code::coeflsjj2 ( integer, intent(in)  l_shell, integer, intent(in)  L, integer, intent(in)  S, integer, intent(in)  J, integer, intent(in)  jm_shell, integer, intent(in)  jp_shell  )

private

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coeflsjjs()

real(double) function, private jj2lsj_code::coeflsjjs ( integer, intent(in)  lshell, integer, intent(in)  N, integer, intent(in)  w, integer, intent(in)  Q, integer, intent(in)  L, integer, intent(in)  S, integer, intent(in)  J, integer, intent(in)  Nm, integer, intent(in)  Qm, integer, intent(in)  Jm, integer, intent(in)  Qp, integer, intent(in)  Jp  )

private

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dallocasfls()

subroutine, public jj2lsj_code::dallocasfls

(

type(asf_basis_ls), intent(inout)

asf_set_LS

)

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getchls()

subroutine, public jj2lsj_code::getchls	(	integer, intent(in)	csf_number,
		integer, intent(in)	shell_number,
		character(len=4), intent(out)	string_LS,
		character(len=4), intent(out)	string_XLS
	)

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gettermls()

subroutine, public jj2lsj_code::gettermls	(	integer, intent(in)	l_shell,
		integer, intent(in)	N,
		type(subshell_term_ls), dimension(120), intent(out)	LS,
		integer, intent(out)	number
	)

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getxj()

subroutine, public jj2lsj_code::getxj

(

)

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inscreen()

subroutine, public jj2lsj_code::inscreen	(	real(double), intent(out)	THRESH,
		integer, dimension(blocks_number,vectors_number), intent(out)	levels,
		integer, dimension(blocks_number), intent(out)	number_of_levels,
		integer, intent(out)	ioutC,
		integer, intent(out)	ioutj,
		integer, intent(out)	UNIQUE
	)

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inscreenlev()

subroutine, public jj2lsj_code::inscreenlev	(	character(len=*), intent(in)	record,
		integer, dimension(1:vectors_number), intent(inout)	levels,
		integer, intent(out)	number_of_levels,
		logical, intent(out)	fail
	)

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jj2lsj()

subroutine, public jj2lsj_code::jj2lsj

(

)

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packlscsf()

subroutine, public jj2lsj_code::packlscsf	(	type(csf_basis_ls), intent(in)	csf_set_LS,
		integer, intent(in)	csf_number,
		character(len=164), intent(out)	string_CSF
	)

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prcsfjj()

subroutine, public jj2lsj_code::prcsfjj	(	integer, intent(in)	stream,
		integer, intent(in)	csf_number,
		integer, intent(in)	csf_number_local
	)

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prcsfls()

subroutine, public jj2lsj_code::prcsfls	(	integer, intent(in)	stream,
		type(csf_basis_ls), intent(in)	csf_set_LS,
		integer, intent(in)	csf_number
	)

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prcsflsall()

subroutine, public jj2lsj_code::prcsflsall	(	integer, intent(in)	stream,
		type(csf_basis_ls), intent(in)	csf_set_LS,
		integer, intent(in)	Before_J
	)

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setls()

subroutine, private jj2lsj_code::setls ( integer, dimension(:), intent(in)  ithresh, integer, intent(in)  NCFMIN, integer, intent(in)  NCFMAX  )

private

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tralsjj()

real(double) function, public jj2lsj_code::tralsjj	(	integer, intent(in)	jj_number,
		integer, intent(in)	LS_number
	)

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tralsjjmp()

real(double) function, public jj2lsj_code::tralsjjmp	(	integer, intent(in)	shell_number,
		integer, intent(in)	jj_number,
		integer, intent(in)	LS_number
	)

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uniquelsj()

subroutine, private jj2lsj_code::uniquelsj ( )

private

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Variable Documentation

asf_set_ls

type(asf_basis_ls), public jj2lsj_code::asf_set_ls

blocks_number

integer, parameter jj2lsj_code::blocks_number = 20

epsnew

real(double) jj2lsj_code::epsnew

imincompoff

integer, private jj2lsj_code::imincompoff

private

jcoup

integer, dimension(:,:), pointer jj2lsj_code::jcoup

l_string

character(len=1), dimension(0:20), parameter, private jj2lsj_code::l_string = (/ "S","P","D","F","G","H","I","K","L","M","N","O","Q", "R","T","U","V","W","X","Y","Z" /)

private

mincomp

real(double) jj2lsj_code::mincomp

vectors_number

integer, parameter jj2lsj_code::vectors_number = 100000