excit_mod Module

Contents

Functions

isvaliddet

Subroutines

FindExcitDet GETEXCITATION GENEXCIT GENEXCIT_R

Functions

public pure function isvaliddet(det, nel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	det(nel)
integer,	intent(in)			::	nel

Return Value logical

Subroutines

public subroutine FindExcitDet(ExcitMat, nI, ic, tParity)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(inout)			::	ExcitMat(2,ic)
integer,	intent(inout)			::	nI(nel)
integer,	intent(in)			::	ic
logical,	intent(out)			::	tParity

public subroutine GETEXCITATION(NI, NJ, NEL, EX, TSIGN)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NI(NEL)
integer				::	NJ(NEL)
integer				::	NEL
integer				::	EX(2,*)
logical				::	TSIGN

public subroutine GENEXCIT(NI, NORDER, NBASIS, NEL, LIST, ICLIST, NLIST, NMIN, G1, TSYM, nBasisMax, TCOUNT)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	NI(NEL)
integer,	intent(in)			::	NORDER
integer,	intent(in)			::	NBASIS
integer,	intent(in)			::	NEL
integer,	intent(in)			::	LIST(NEL,*)
integer,	intent(in)			::	ICLIST(*)
integer				::	NLIST
integer				::	NMIN
type(BasisFN)				::	G1(*)
logical				::	TSYM
integer				::	nBasisMax(5,*)
logical				::	TCOUNT

private recursive subroutine GENEXCIT_R(NI, NORDER, NEL, NELEC, NBASIS, LIST, ICLIST, NLISTPOS, NEXCIT, NLEFT, NSTARTFN, NMIN, G1, ISYM, TSYM, nBasisMax, TCOUNT)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	NI(NEL)
integer				::	NORDER
integer				::	NEL
integer				::	NELEC
integer				::	NBASIS
integer				::	LIST(NEL,*)
integer				::	ICLIST(*)
integer				::	NLISTPOS
integer				::	NEXCIT(NEL)
integer				::	NLEFT
integer				::	NSTARTFN
integer				::	NMIN
type(BasisFN)				::	G1(NBASIS)
type(BasisFN)				::	ISYM
logical				::	TSYM
integer				::	nBasisMax(5,*)
logical				::	TCOUNT