RPA_Mod Module

Uses

Contents

Variables

tStabilityAnalysis tDirectRPA ov_space virt_start A_mat B_mat OccNumbers

Functions

ov_space_ind

Subroutines

RunRPA_QBA d_inv Check_XY_orthogonality WriteMatrix WriteVector

Variables

Type	Visibility	Attributes		Name		Initial
logical,	public		::	tStabilityAnalysis	=	.true.
logical,	public		::	tDirectRPA
integer,	public		::	ov_space
integer,	public		::	virt_start
real(kind=dp),	public,	allocatable	::	A_mat(:,:)
real(kind=dp),	public,	allocatable	::	B_mat(:,:)
real(kind=dp),	public,	allocatable	::	OccNumbers(:)

Functions

public function ov_space_ind(a, i)

Arguments

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

Return Value integer

Subroutines

public subroutine RunRPA_QBA(Weight, Energy)

call stop_all(t_r,”Calculation of X matrix not the same as via stability matrix”)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(out)			::	Weight
real(kind=dp),	intent(out)			::	Energy

public subroutine d_inv(mat, matinv)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	mat(:,:)
real(kind=dp),	intent(out),		dimension(size(mat, 1), size(mat, 2))	::	matinv

public subroutine Check_XY_orthogonality(X, Y)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	X(ov_space,ov_space)
real(kind=dp),	intent(in)			::	Y(ov_space,ov_space)

public subroutine WriteMatrix(mat, matname, tOneLine)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	mat(:,:)
character(len=*),	intent(in)			::	matname
logical				::	tOneLine

public subroutine WriteVector(vec, vecname)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	vec(:)
character(len=*),	intent(in)			::	vecname