unit_test_helper_excitgen Module


Uses


Variables

Type Visibility Attributes Name Initial
procedure(calc_pgen_t), public, pointer :: calc_pgen

Abstract Interfaces

abstract interface

  • private function calc_pgen_t(nI, ilutI, ex, ic, ClassCount2, ClassCountUnocc2) result(pgen)

    Arguments

    Type IntentOptional Attributes Name
    integer, intent(in) :: nI(nel)
    integer(kind=n_int), intent(in) :: ilutI(0:NIfTot)
    integer, intent(in) :: ex(2,2)
    integer, intent(in) :: ic
    integer, intent(in) :: ClassCount2(ScratchSize)
    integer, intent(in) :: ClassCountUnocc2(ScratchSize)

    Return Value real(kind=dp)


Subroutines

public subroutine test_excitation_generator(sampleSize, pTot, pNull, numEx, nFound, t_calc_pgen, start_nI)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: sampleSize
real(kind=dp), intent(out) :: pTot
real(kind=dp), intent(out) :: pNull
integer, intent(out) :: numEx
integer, intent(out) :: nFound
logical, intent(in) :: t_calc_pgen
integer, intent(in), optional :: start_nI(nEl)

public subroutine init_excitgen_test(ref_det, fcidump_writer, setdefaults)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: ref_det(:)
class(FciDumpWriter_t), intent(in) :: fcidump_writer
logical, intent(in), optional :: setdefaults

whether or not to set the default flags in this function IMO this should be done using test fixtures and not in this function, but much of the existing tests rely on it being here

public subroutine finalize_excitgen_test()

Arguments

None

public subroutine init_guga_testsuite()

Arguments

None

public subroutine finalize_guga_testuite()

Arguments

None

public subroutine set_ref()

Arguments

None

public subroutine free_ref()

Arguments

None