forte2.dsrg.utils
=================

.. py:module:: forte2.dsrg.utils






Module Contents
---------------

.. py:data:: compute_t1_block

.. py:data:: compute_t2_block

.. py:data:: renormalize_V_block

.. py:data:: renormalize_3index

.. py:function:: antisymmetrize_2body(T, indices)

.. py:function:: cas_energy_given_RDMs(E_core, H_cas, V_cas, gamma1, gamma2)

   
   Return the CAS energy.

   .. math::
       E_{\mathrm{CAS}} = E_{\mathrm{core}} + \sum_{uv} \langle u | \hat{h} | v \rangle \gamma_v^u + \frac{1}{2} \sum_{uvxy} \langle uv | \hat{g} | xy \rangle \gamma_{xy}^{uv}

   :Parameters:

       **E_core** : float
           The core energy.

       **H_cas** : np.ndarray
           The one-electron integrals in the CAS.

       **V_cas** : np.ndarray
           The two-electron integrals in the CAS (not antisymmetrized).

       **gamma1** : np.ndarray
           The 1-RDM of the CAS reference.

       **gamma2** : np.ndarray
           The 2-RDM of the CAS reference.



   :Returns:

       float
           The CAS energy.











   ..
       !! processed by numpydoc !!