guga_procedure_pointers Module


Uses


Contents

Variables

Abstract Interfaces


Variables

Type Visibility Attributes Name Initial
procedure(PickOrbitals_t), public, pointer :: pickOrbitals_single => null()
procedure(PickOrbitals_t), public, pointer :: pickOrbitals_double => null()
procedure(calc_orbital_pgen_contr_t), public, pointer :: calc_orbital_pgen_contr => null()
procedure(pick_first_orbital_t), public, pointer :: pick_first_orbital => null()
procedure(orb_pgen_contrib_type_t), public, pointer :: orb_pgen_contrib_type_3 => null()
procedure(orb_pgen_contrib_type_t), public, pointer :: orb_pgen_contrib_type_2 => null()
procedure(calc_off_diag_guga_t), public, pointer :: calc_off_diag_guga_ref => null()
procedure(CalcOrbitalPgenContr_t), public, pointer :: calc_orbital_pgen_contrib_start => null()
procedure(CalcOrbitalPgenContr_t), public, pointer :: calc_orbital_pgen_contrib_end => null()

Abstract Interfaces

abstract interface

  • public function general_weight_dummy(nSwitches, bval, dat) result(weight)

    Arguments

    Type IntentOptional Attributes Name
    real(kind=dp), intent(in) :: nSwitches
    real(kind=dp), intent(in) :: bval
    type(WeightData_t), intent(in) :: dat

    Return Value real(kind=dp)

abstract interface

  • public function general_weight_zero(negSwitches, posSwitches, bVal, dat) result(weight)

    Arguments

    Type IntentOptional Attributes Name
    real(kind=dp), intent(in) :: negSwitches
    real(kind=dp), intent(in) :: posSwitches
    real(kind=dp), intent(in) :: bVal
    type(WeightData_t), intent(in) :: dat

    Return Value real(kind=dp)

abstract interface

  • private function orb_pgen_contrib_type_t() result(orb_pgen)

    Arguments

    None

    Return Value real(kind=dp)

abstract interface

  • private function calc_off_diag_guga_t(ilut, csf_i, run, exlevel) result(hel)

    Arguments

    Type IntentOptional Attributes Name
    integer(kind=n_int), intent(in) :: ilut(0:IlutBits%len_tot)
    type(CSF_Info_t), intent(in) :: csf_i
    integer, intent(in), optional :: run
    integer, intent(out), optional :: exlevel

    Return Value real(kind=dp)

abstract interface

  • private subroutine PickOrbitals_t(ilut, nI, csf_i, excitInfo, pgen)

    Arguments

    Type IntentOptional Attributes Name
    integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
    integer, intent(in) :: nI(nel)
    type(CSF_Info_t), intent(in) :: csf_i
    type(ExcitationInformation_t), intent(out) :: excitInfo
    real(kind=dp), intent(out) :: pgen

abstract interface

  • private subroutine CalcOrbitalPgenContr_t(csf_i, occ_orbs, orb_a, orb_pgen)

    Arguments

    Type IntentOptional Attributes Name
    type(CSF_Info_t), intent(in) :: csf_i
    integer, intent(in) :: occ_orbs(2)
    integer, intent(in) :: orb_a
    real(kind=dp), intent(out) :: orb_pgen

abstract interface

  • private subroutine calc_orbital_pgen_contr_t(csf_i, occ_orbs, above_cpt, below_cpt)

    Arguments

    Type IntentOptional Attributes Name
    type(CSF_Info_t), intent(in) :: csf_i
    integer, intent(in) :: occ_orbs(2)
    real(kind=dp), intent(out) :: above_cpt
    real(kind=dp), intent(out) :: below_cpt

abstract interface

  • private subroutine calc_mixed_contr_t(ilut, csf_i, t, excitInfo, pgen, integral)

    Arguments

    Type IntentOptional Attributes Name
    integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
    type(CSF_Info_t), intent(in) :: csf_i
    integer(kind=n_int), intent(in) :: t(0:GugaBits%len_tot)
    type(ExcitationInformation_t), intent(inout) :: excitInfo
    real(kind=dp), intent(out) :: pgen
    real(kind=dp), intent(out) :: integral

abstract interface

  • private subroutine calc_mixed_start_contr_t(ilut, csf_i, t, excitInfo, branch_pgen, pgen, integral, rdm_ind, rdm_mat)

    Arguments

    Type IntentOptional Attributes Name
    integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
    type(CSF_Info_t), intent(in) :: csf_i
    integer(kind=n_int), intent(in) :: t(0:GugaBits%len_tot)
    type(ExcitationInformation_t), intent(inout) :: excitInfo
    real(kind=dp), intent(inout) :: branch_pgen
    real(kind=dp), intent(out) :: pgen
    real(kind=dp), intent(out) :: integral
    integer(kind=int_rdm), intent(out), optional, allocatable :: rdm_ind(:)
    real(kind=dp), intent(out), optional, allocatable :: rdm_mat(:)

abstract interface

  • private subroutine pick_first_orbital_t(i, pgen, excit_lvl, excit_typ)

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(out) :: i
    real(kind=dp), intent(out) :: pgen
    integer, intent(out) :: excit_lvl
    integer, intent(out) :: excit_typ