SymExcitDataMod Module


Uses


Contents

Variables

Derived Types


Variables

Type Visibility Attributes Name Initial
real(kind=dp), public :: pSingNew
real(kind=dp), public :: pDoubNew
real(kind=dp), public :: pSing_spindiff1_new
real(kind=dp), public :: pDoub_spindiff1_new
real(kind=dp), public :: pDoub_spindiff2_new
integer, public, ALLOCATABLE :: SymLabelList2(:)
integer, public, ALLOCATABLE :: SymLabelCounts2(:,:)
integer, public, allocatable :: sym_label_list_spat(:)
integer, public :: ScratchSize
integer, public :: ScratchSize1 = 0
integer, public :: ScratchSize2 = 0
integer, public :: ScratchSize3 = 0
logical, public :: tBuildOccVirtList = .false.
logical, public :: tBuildSpinSepLists = .false.
integer, public, ALLOCATABLE :: OrbClassCount(:)
integer, public, ALLOCATABLE :: kPointToBasisFn(:,:,:,:)
integer, public :: kTotal(3)
integer, public, ALLOCATABLE :: SpinOrbSymLabel(:)
integer, public, ALLOCATABLE :: SymInvLabel(:)
integer, public, ALLOCATABLE :: SymTableLabels(:,:)
integer, public, ALLOCATABLE :: KPntInvSymOrb(:)
integer, public, allocatable :: MomInvSymOrb(:)

Derived Types

type, public ::  excit_gen_store_type

Components

Type Visibility Attributes Name Initial
integer, public, pointer :: ClassCountOcc(:) => null()
integer, public, pointer :: ClassCountUnocc(:) => null()
integer, public, pointer :: scratch3(:) => null()
integer, public, pointer :: occ_list(:,:) => null()
integer, public, pointer :: virt_list(:,:) => null()
integer, public, pointer :: nI_alpha(:) => null()
integer, public, pointer :: nI_beta(:) => null()
integer, public, pointer :: nI_alpha_inds(:) => null()
integer, public, pointer :: nI_beta_inds(:) => null()
integer, public :: nel_alpha
logical, public :: tFilled
integer, public, pointer :: dorder_i(:) => null()
integer, public, pointer :: dorder_j(:) => null()
integer, public, pointer :: elec_map(:) => null()
integer, public :: nopen
integer, public :: idx_curr_dets = -1

The current determinant in the CurrentDets(:, :) array.