read Subroutine

private subroutine read(this, filename)

Read in the 6-index integrals from disk and histogram the integrals. The file itself only has to store the nonzero integrals, either in ASCII or in HDF5 format. For conventions in the HDF5 format, please refer to the developer’s guide.

Type Bound

lMat_t

Arguments

Type IntentOptional Attributes Name
class(lMat_t), intent(inout) :: this
character(len=*), intent(in) :: filename

name of the integrals file

Source Code

    subroutine read(this, filename)
        class(lMat_t), intent(inout) :: this
        character(*), intent(in) :: filename

        ! Setup the temporaries used for freezing orbitals
        call init_freeze_buffers()
        call this%read_kernel(filename)
        call flush_freeze_buffers()

        if (tHistLMat) call this%histogram_lMat()

    end subroutine read