ras_data Module

Contents

Variables

tot_nelec tot_norbs HFSym_ras core_ras trial_ras

Derived Types

ras_parameters ras_class_data ras_vector ras_factors direct_ci_excit

Variables

Type	Visibility	Attributes		Name		Initial
integer,	public		::	tot_nelec
integer,	public		::	tot_norbs
integer,	public		::	HFSym_ras
type(ras_parameters),	public		::	core_ras
type(ras_parameters),	public		::	trial_ras

Derived Types

type, public ::  ras_parameters

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	size_1
integer,	public		::	size_2
integer,	public		::	size_3
integer,	public		::	min_1
integer,	public		::	max_3
integer,	public		::	lower_ras1
integer,	public		::	upper_ras1
integer,	public		::	num_classes
integer,	public,	allocatable, dimension(:)	::	cum_classes
integer,	public		::	num_strings
integer,	public,	allocatable, dimension(:, :)	::	class_label

type, public ::  ras_class_data

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	nelec_1
integer,	public		::	nelec_2
integer,	public		::	nelec_3
integer,	public		::	class_size
integer,	public,	allocatable, dimension(:, :)	::	vertex_weights
integer,	public		::	num_comb
integer,	public,	allocatable, dimension(:)	::	allowed_combns
integer,	public,	allocatable, dimension(:)	::	address_map
integer,	public		::	num_sym(0:7)
integer,	public		::	cum_sym(0:7)

type, public ::  ras_vector

Components

Type	Visibility	Attributes		Name		Initial
real(kind=dp),	public,	allocatable, dimension(:, :)	::	elements

type, public ::  ras_factors

Components

Type	Visibility	Attributes		Name		Initial
real(kind=dp),	public,	allocatable, dimension(:)	::	elements

type, public ::  direct_ci_excit

Components

Type	Visibility	Attributes		Name		Initial
integer,	public,	allocatable, dimension(:)	::	excit_ind
integer,	public,	allocatable, dimension(:)	::	par
integer,	public,	allocatable, dimension(:, :)	::	orbs
integer,	public		::	nexcit