kMatProjE Module

Uses

Contents

Variables

kMatProjEContrib kMatLinFac kMatSqFac kMatParFac kMatLin kMatSq kMatAA kMatAB

Derived Types

kMat_t

Functions

directElement exchElement elementAccess determineKMatSize kMat kMatOppSpinCorrection kMatParSpinCorrection spinKMatContrib

Subroutines

freeMemory readKMatFromFile setupKMat freeKMat addProjEContrib printProjEContrib readKMat readSpinKMat

Variables

Type	Visibility	Attributes		Name		Initial
real(kind=dp),	private,	allocatable	::	kMatProjEContrib(:)
real(kind=dp),	public,	parameter	::	kMatLinFac	=	0.25
real(kind=dp),	public,	parameter	::	kMatSqFac	=	0.375
real(kind=dp),	public,	parameter	::	kMatParFac	=	0.5
type(kMat_t),	public		::	kMatLin
type(kMat_t),	public		::	kMatSq
type(kMat_t),	public		::	kMatAA
type(kMat_t),	public		::	kMatAB

Derived Types

type, public :: kMat_t

Components

Type	Visibility	Attributes		Name		Initial
integer(kind=MPIArg),	private		::	shm_win
real(kind=dp),	private,	pointer	::	kMat_p(:)
integer(kind=int64),	private		::	kMatSize

Type-Bound Procedures

procedure , public :: readKMatFromFile Subroutine
procedure , public :: setupKMat Subroutine
procedure , public :: freeMemory Subroutine
procedure , public :: directElement Function
procedure , public :: exchElement Function
procedure , public :: elementAccess Function

Functions

public function directElement(this, i, j, k, l) result(matel)

Arguments

Type	Intent	Optional	Attributes		Name
class(kMat_t)				::	this
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l

Return Value real(kind=dp)

public function exchElement(this, i, j, k, l) result(matel)

Arguments

Type	Intent	Optional	Attributes		Name
class(kMat_t)				::	this
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l

Return Value real(kind=dp)

public function elementAccess(this, index) result(kMatel)

Arguments

Type	Intent	Optional	Attributes		Name
class(kMat_t)				::	this
integer(kind=int64),	intent(in)			::	index

Return Value real(kind=dp)

public function determineKMatSize() result(kMatSize)

Arguments

None

Return Value integer(kind=int64)

public function kMat(index) result(val)

Arguments

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

Return Value real(kind=dp)

public function kMatOppSpinCorrection(i, j, k, l) result(matel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l

Return Value real(kind=dp)

public function kMatParSpinCorrection(i, j, k, l) result(matel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l

Return Value real(kind=dp)

public function spinKMatContrib(i, j, k, l, s1, s2) result(matel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l
integer,	intent(in)			::	s1
integer,	intent(in)			::	s2

Return Value real(kind=dp)

Subroutines

public subroutine freeMemory(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(kMat_t)				::	this

public subroutine readKMatFromFile(this, filename)

Arguments

Type	Intent	Optional	Attributes		Name
class(kMat_t)				::	this
character(len=*)				::	filename

public subroutine setupKMat(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(kMat_t)				::	this

public subroutine freeKMat()

Arguments

None

public subroutine addProjEContrib(nI, nJ, sgn)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	nJ(nel)
real(kind=dp),	intent(in)			::	sgn(lenof_sign)

public subroutine printProjEContrib()

Arguments

None

public subroutine readKMat()

Arguments

None

public subroutine readSpinKMat()

Arguments

None