ScreenERI3 ========== Overview -------- ScreenERI3 implements Schwarz-type ERI screening data and exposes the underlying screening vectors/matrices to Python as read-only memoryviews. Constructor ----------- .. code-block:: python ScreenERI3(pp, ijij, cutoff) Parameters ---------- * **pp** *(ndarray, naux)* - auxiliary per-shell screening vector. * **ijij** *(ndarray, nsh x nsh)* - per-shell-pair screening estimates for primary basis. * **cutoff** *(float)* - screening cutoff threshold. Properties ---------- * ``pp`` - read-only memoryview to internal screening vector. * ``ijij`` - read-only memoryview to internal screening matrix. * ``nao`` - number of atomic orbitals in primary basis. * ``naux`` - number of auxiliary AOs. Notes ----- * The screening object is consumed by :class:`libintx.Jengine.set_screening` for efficient ERI screening.