sym_general_mod Module

Uses

- bit_rep_data
- DetBitOps
- sym_mod
- constants
- SystemData
- SymExcitDataMod
- excit_mod
- calcrho_mod
- SymData

Contents

Interfaces

ClassCountInd ClassCountInv CCIndS

Functions

ClassCountInd_full_32 ClassCountInd_full_64 ClassCountInd_orb CCIndS_32 CCIndS_64 class_count_spin class_count_ms class_count_ml SymAllowedExcit IsSymAllowedExcitMat

Subroutines

ClassCountInv_32 ClassCountInv_64

Interfaces

public interface ClassCountInd

public elemental function ClassCountInd_full_64(Spin, Sym, Mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	Spin
integer(kind=int64),	intent(in)			::	Sym
integer,	intent(in)			::	Mom

Return Value integer

public elemental function ClassCountInd_full_32(Spin, Sym, Mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	Spin
integer(kind=int32),	intent(in)			::	Sym
integer,	intent(in)			::	Mom

Return Value integer

public elemental function ClassCountInd_orb(orb) result(ind)

Arguments

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

Return Value integer

public interface ClassCountInv

public elemental subroutine ClassCountInv_32(ind, sym, spin, mom)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ind
integer(kind=int32),	intent(out)			::	sym
integer,	intent(out)			::	spin
integer,	intent(out)			::	mom

public elemental subroutine ClassCountInv_64(ind, sym, spin, mom)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ind
integer(kind=int64),	intent(out)			::	sym
integer,	intent(out)			::	spin
integer,	intent(out)			::	mom

public interface CCIndS

public pure function CCIndS_32(sym, mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	sym
integer,	intent(in)			::	mom

Return Value integer

public pure function CCIndS_64(sym, mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	sym
integer,	intent(in)			::	mom

Return Value integer

Functions

public elemental function ClassCountInd_full_32(Spin, Sym, Mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	Spin
integer(kind=int32),	intent(in)			::	Sym
integer,	intent(in)			::	Mom

Return Value integer

public elemental function ClassCountInd_full_64(Spin, Sym, Mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	Spin
integer(kind=int64),	intent(in)			::	Sym
integer,	intent(in)			::	Mom

Return Value integer

public elemental function ClassCountInd_orb(orb) result(ind)

Arguments

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

Return Value integer

public pure function CCIndS_32(sym, mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	sym
integer,	intent(in)			::	mom

Return Value integer

public pure function CCIndS_64(sym, mom) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	sym
integer,	intent(in)			::	mom

Return Value integer

public elemental function class_count_spin(cc_ind) result(spn)

Arguments

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

Return Value integer

public elemental function class_count_ms(cc_ind) result(ms)

Arguments

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

Return Value integer

public elemental function class_count_ml(cc_ind) result(ml)

Arguments

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

Return Value integer

public function SymAllowedExcit(nI, nJ, ic, ex, err_msg) result(bValid)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	nJ(nel)
integer,	intent(in)			::	ic
integer,	intent(in)			::	ex(2,ic)
character(len=50),	intent(out),	optional		::	err_msg

Return Value logical

public function IsSymAllowedExcitMat(ex, ic) result(bValid)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ex(2,ic)
integer,	intent(in)			::	ic

Return Value logical

Subroutines

public elemental subroutine ClassCountInv_32(ind, sym, spin, mom)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ind
integer(kind=int32),	intent(out)			::	sym
integer,	intent(out)			::	spin
integer,	intent(out)			::	mom

public elemental subroutine ClassCountInv_64(ind, sym, spin, mom)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ind
integer(kind=int64),	intent(out)			::	sym
integer,	intent(out)			::	spin
integer,	intent(out)			::	mom