cepa_shifts Module



Contents


Variables

Type Visibility Attributes Name Initial
logical, public :: t_cepa_shift = .false.
character(len=4), public :: cepa_method
real(kind=dp), public :: aqcc_factor = 0.0_dp
logical, private :: t_apply_full_cepa = .false.
procedure(cepa_shift_t), public, pointer :: cepa_shift_single
procedure(cepa_shift_t), public, pointer :: cepa_shift_double
procedure(cepa_shift_ex_level_t), public, pointer :: cepa_shift

Abstract Interfaces

abstract interface

  • private function cepa_shift_t(run)

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in) :: run

    Return Value real(kind=dp)

abstract interface

  • private function cepa_shift_ex_level_t(run, ex_level)

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in) :: run
    integer, intent(in) :: ex_level

    Return Value real(kind=dp)


Functions

private function cepa_shift_cc(run, ex_level)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run
integer, intent(in) :: ex_level

Return Value real(kind=dp)

private function cepa_shift_cisd(run, ex_level)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run
integer, intent(in) :: ex_level

Return Value real(kind=dp)

public function cepa_0(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)

private function cepa_1_single(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)

private function cepa_1_double(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)

private function cepa_3_single(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)

private function cepa_3_double(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)

public function cepa_acpf(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)

public function cepa_aqcc(run)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: run

Return Value real(kind=dp)


Subroutines

public subroutine init_cepa_shifts()

Arguments

None