PCHB_t Derived Type

type, public, extends(GUGABase_t) :: PCHB_t


Components

Type Visibility Attributes Name Initial
type(PropVec_PCHB_ExcGenerator_t), private :: PropVec_sampler

Type-Bound Procedures

procedure, public :: init

  • private subroutine init(this, options)

    Arguments

    Type IntentOptional Attributes Name
    class(PCHB_t), intent(inout) :: this
    type(FCI_PCHB_options_t), intent(in) :: options

procedure, public :: finalize

  • private subroutine finalize(this)

    Arguments

    Type IntentOptional Attributes Name
    class(PCHB_t), intent(inout) :: this

procedure, public :: pickorbitals_single

  • private subroutine pickorbitals_single(this, nI, ilut, csf_i, excitInfo, pgen)

    Arguments

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

procedure, public :: pickorbitals_double

  • private subroutine pickorbitals_double(this, nI, ilut, csf_i, excitInfo, pgen)

    Arguments

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

procedure, public :: calc_pgen

  • private function calc_pgen(this, nI, ilutI, csf_i, excitInfo) result(pgen)

    Arguments

    Type IntentOptional Attributes Name
    class(PCHB_t), intent(in) :: this
    integer, intent(in) :: nI(nEl)
    integer(kind=n_int), intent(in) :: ilutI(0:GugaBits%len_tot)
    type(CSF_Info_t), intent(in) :: csf_i
    type(ExcitationInformation_t), intent(in) :: excitInfo

    Return Value real(kind=dp)

procedure, public :: calc_orbital_pgen_contr

  • private subroutine calc_orbital_pgen_contr(this, nI, ilut, csf_i, occ_orbs, above_cpt, below_cpt)

    Arguments

    Type IntentOptional Attributes Name
    class(PCHB_t), intent(in) :: this
    integer, intent(in) :: nI(nEl)
    integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
    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

procedure, public :: calc_orbital_pgen_contr_start

  • private subroutine calc_orbital_pgen_contr_start(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen)

    Arguments

    Type IntentOptional Attributes Name
    class(PCHB_t), intent(in) :: this
    integer, intent(in) :: nI(nEl)
    integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
    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

procedure, public :: calc_orbital_pgen_contr_end

  • private subroutine calc_orbital_pgen_contr_end(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen)

    Arguments

    Type IntentOptional Attributes Name
    class(PCHB_t), intent(in) :: this
    integer, intent(in) :: nI(nEl)
    integer(kind=n_int), intent(in) :: ilut(0:GugaBits%len_tot)
    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

Source Code

    type, extends(GUGABase_t) :: PCHB_t
        private

        type(PropVec_PCHB_ExcGenerator_t) :: PropVec_sampler
    contains
        private
        procedure, public :: init
        procedure, public :: finalize

        procedure, public :: pickorbitals_single
        procedure, public :: pickorbitals_double
        procedure, public :: calc_pgen
        procedure, public :: calc_orbital_pgen_contr
        procedure, public :: calc_orbital_pgen_contr_start
        procedure, public :: calc_orbital_pgen_contr_end
    end type PCHB_t