gndts_blk_mod Module



Contents


Subroutines

public subroutine GNDTS_BLK(NEL, NBASIS, BRR, nBasisMax, NMRKS, TCOUNT, NDET, G1, II, NBLOCKSTARTS, NBLOCKS, TSPN, LMS, TPARITY, SymRestrict, IFDET, TGENFDET, NDETTOT, BLOCKSYM)

Arguments

Type IntentOptional Attributes Name
integer :: NEL
integer :: NBASIS
integer :: BRR(NBASIS)
integer :: nBasisMax(5,*)
integer :: NMRKS(NEL,NDET)
logical :: TCOUNT
integer :: NDET
type(BasisFN) :: G1(NBASIS)
integer :: II
integer :: NBLOCKSTARTS(NBLOCKS+1)
integer :: NBLOCKS
logical :: TSPN
integer :: LMS
logical :: TPARITY
type(BasisFN) :: SymRestrict
integer :: IFDET
logical :: TGENFDET
integer :: NDETTOT
type(BasisFN) :: BLOCKSYM(NBLOCKS)

private recursive subroutine GENSYMDETSSD_R(NI, KI, NEL, G1, BRR, NBASIS, LSTE, NLIST, NLMAX, NJ, KJ, NELEC, NBF, nBasisMax)

Arguments

Type IntentOptional Attributes Name
integer :: NI(NEL)
type(BasisFN) :: KI
integer :: NEL
type(BasisFN) :: G1(NBASIS)
integer :: BRR(NBASIS)
integer :: NBASIS
integer :: LSTE(NEL,NLMAX)
integer :: NLIST
integer :: NLMAX
integer :: NJ(NEL)
type(BasisFN) :: KJ
integer :: NELEC
integer :: NBF
integer :: nBasisMax(5,*)

private recursive subroutine GENSYMDETS_R(NI, KI, NEL, G1, BRR, NBASIS, LSTE, NLIST, NLMAX, NJ, KJ, NELEC, NBF, nBasisMax)

Arguments

Type IntentOptional Attributes Name
integer :: NI(NEL)
type(BasisFN) :: KI
integer :: NEL
type(BasisFN) :: G1(NBASIS)
integer :: BRR(NBASIS)
integer :: NBASIS
integer :: LSTE(NEL,NLMAX)
integer :: NLIST
integer :: NLMAX
integer :: NJ(NEL)
type(BasisFN) :: KJ
integer :: NELEC
integer :: NBF
integer :: nBasisMax(5,*)

public subroutine GENSYMDETSS(KI, NEL, G1, BRR, NBASIS, LSTE, NLIST, nBasisMax)

Arguments

Type IntentOptional Attributes Name
type(BasisFN) :: KI
integer :: NEL
type(BasisFN) :: G1(NBASIS)
integer :: BRR(NBASIS)
integer :: NBASIS
integer :: LSTE(NEL,NLIST)
integer :: NLIST
integer :: nBasisMax(5,*)