scrtransf_mod Module

Uses

- calcrho_mod
- lineup_mod

Contents

Functions

gethelement2t

Subroutines

SLTCNDT SCR0T SCR1T SCR2T GETTRUMATEL GETTRTMATEL

Functions

public function gethelement2t(NI, NJ, NEL, nBasisMax, NBASIS, ECORE, IC2, BTRANS, NSBASIS, NSPINS) result(GETHELEMENT2T)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NI(NEL)
integer				::	NJ(NEL)
integer				::	NEL
integer				::	nBasisMax(5,*)
integer				::	NBASIS
real(kind=dp)				::	ECORE
integer				::	IC2
real(kind=dp)				::	BTRANS(*)
integer				::	NSBASIS
integer				::	NSPINS

Return Value real(kind=dp)

Subroutines

private subroutine SLTCNDT(NEL, nBasisMax, NHG, NDET1, NDET2, IC, BTRANS, NSBASIS, NSPINS, TOTSUM)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NEL
integer				::	nBasisMax(5,*)
integer				::	NHG
integer				::	NDET1(NEL)
integer				::	NDET2(NEL)
integer				::	IC
real(kind=dp)				::	BTRANS(*)
integer				::	NSBASIS
integer				::	NSPINS
real(kind=dp)				::	TOTSUM

private subroutine SCR0T(NEL, NDET1, COULCOUPLE, BTRANS, NSBASIS, NSPINS, TOTSUM)

SAME*

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NEL
integer				::	NDET1(NEL)
real(kind=dp)				::	COULCOUPLE
real(kind=dp)				::	BTRANS(NSBASIS,NSBASIS,NSPINS)
integer				::	NSBASIS
integer				::	NSPINS
real(kind=dp)				::	TOTSUM

private subroutine SCR1T(NEL, NDET1, NDET2, COULCOUPLE, BTRANS, NSBASIS, NSPINS, TOTSUM)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NEL
integer				::	NDET1(NEL)
integer				::	NDET2(NEL)
real(kind=dp)				::	COULCOUPLE
real(kind=dp)				::	BTRANS(NSBASIS,NSBASIS,NSPINS)
integer				::	NSBASIS
integer				::	NSPINS
real(kind=dp)				::	TOTSUM

private subroutine SCR2T(NEL, NDET1, NDET2, COULCOUPLE, BTRANS, NSBASIS, NSPINS, TOTSUM)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NEL
integer				::	NDET1(NEL)
integer				::	NDET2(NEL)
real(kind=dp)				::	COULCOUPLE
real(kind=dp)				::	BTRANS(NSBASIS,NSBASIS,NSPINS)
integer				::	NSBASIS
integer				::	NSPINS
real(kind=dp)				::	TOTSUM

public subroutine GETTRUMATEL(A, B, C, D, BTRANS, NSBASIS, NSPINS, TOTSUM)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	A
integer				::	B
integer				::	C
integer				::	D
real(kind=dp)				::	BTRANS(NSBASIS,NSBASIS,NSPINS)
integer				::	NSBASIS
integer				::	NSPINS
real(kind=dp)				::	TOTSUM

public subroutine GETTRTMATEL(A, C, BTRANS, NSBASIS, NSPINS, TOTSUM)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	A
integer				::	C
real(kind=dp)				::	BTRANS(NSBASIS,NSBASIS,NSPINS)
integer				::	NSBASIS
integer				::	NSPINS
real(kind=dp)				::	TOTSUM