calcAllExcitations Interface

public interface calcAllExcitations

Contents

Module Procedures


Module Procedures

public subroutine calcAllExcitations_single(ilut, csf_i, i, j, excitations, nExcits, t_full)

Arguments

Type IntentOptional Attributes Name
integer(kind=n_int), intent(in) :: ilut(0:nifguga)
type(CSF_Info_t), intent(in) :: csf_i
integer, intent(in) :: i
integer, intent(in) :: j
integer(kind=n_int), intent(out), allocatable :: excitations(:,:)
integer, intent(out) :: nExcits
logical, intent(in), optional :: t_full

public subroutine calcAllExcitations_double(ilut, csf_i, i, j, k, l, excitations, nExcits, t_full)

Arguments

Type IntentOptional Attributes Name
integer(kind=n_int), intent(in) :: ilut(0:nifguga)
type(CSF_Info_t), intent(in) :: csf_i
integer, intent(in) :: i
integer, intent(in) :: j
integer, intent(in) :: k
integer, intent(in) :: l
integer(kind=n_int), intent(out), allocatable :: excitations(:,:)
integer, intent(out) :: nExcits
logical, intent(in), optional :: t_full

private subroutine calcAllExcitations_excitInfo_single(ilut, csf_i, excitInfo, posSwitches, negSwitches, tmatFlag, excitations, nExcits)

Arguments

Type IntentOptional Attributes Name
integer(kind=n_int), intent(in) :: ilut(0:nifguga)
type(CSF_Info_t), intent(in) :: csf_i
type(ExcitationInformation_t), intent(in) :: excitInfo
real(kind=dp), intent(in) :: posSwitches(nSpatOrbs)
real(kind=dp), intent(in) :: negSwitches(nSpatOrbs)
logical, intent(in) :: tmatFlag
integer(kind=n_int), intent(out), allocatable :: excitations(:,:)
integer, intent(out) :: nExcits