SetupPropInts2 Subroutine

public subroutine SetupPropInts2(nBasisFrz)

Arguments

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

Source Code

    subroutine SetupPropInts2(nBasisFrz)
        implicit none
        integer, intent(in) :: nBasisFrz
        integer :: ierr, iSize
        character(*), parameter :: t_r = 'SetupPropertyInts2'

        ! Using a square array to hold <i|h|j> (incl. elements which are
        ! zero by symmetry).
        allocate(OneEPropInts2(nBasisFrz, nBasisFrz, iNumPropToEst), STAT=ierr)
        iSize = NBasisFrz * NBasisFrz * iNumPropToEst
        call LogMemAlloc('OneEPropInts2', iSize, HElement_t_size * 8, t_r, tagOneEPropInts2)
        OneEPropInts2 = (0.0_dp)

    end subroutine SetupPropInts2