Pyscf — optimization runs
=========================


3 optimize runs recorded for ``pyscf``.

.. list-table:: Runs
   :header-rows: 1
   :widths: 28 18 18 12 12 12

   * - Task
     - Metric
     - Direction
     - Baseline
     - Best
     - Δ vs baseline
   * - :doc:`casscf <../entries/pyscf/casscf/index>`
     - ``Weighted median casscf kernel time (s)``
     - lower
     - 102.444
     - 39.7457
     - +61.20%
   * - :doc:`davidson <../entries/pyscf/davidson/index>`
     - ``Weighted median td kernel wall time (s)``
     - lower
     - 128.753
     - 30.0181
     - +76.69%
   * - :doc:`diis_scf <../entries/pyscf/diis_scf/index>`
     - ``Weighted median SCF kernel time (s)``
     - lower
     - 1.22637
     - 0.812246
     - +33.77%

.. toctree::
   :maxdepth: 1
   :hidden:

   ../entries/pyscf/casscf/index
   ../entries/pyscf/davidson/index
   ../entries/pyscf/diis_scf/index