.. _pt2: 
 
.. program:: pt2 
 
=== 
pt2 
=== 
 
 
 
 
 Second order perturbative correction to the wave function contained in the EZFIO directory. 
  
 This programs runs the stochastic PT2 correction on all "n_states" wave function stored in the EZFIO folder (see :option:`determinant n_states`). 
  
 The option for the PT2 correction are the "pt2_relative_error" which is the relative stochastic 
  
 error on the PT2 to reach before stopping the stochastic sampling. (see :option:`perturbation pt2_relative_error`) 
 
 Needs: 
 
 .. hlist:: 
    :columns: 3 
 
    * :c:data:`is_zmq_slave` 
    * :c:data:`mo_two_e_integrals_in_map` 
    * :c:data:`psi_energy` 
    * :c:data:`threshold_generators` 
    * :c:data:`read_wf` 
 
 Calls: 
 
 .. hlist:: 
    :columns: 3 
 
    * :c:func:`run` 
    * :c:func:`run_slave_cipsi` 
 
 Touches: 
 
 .. hlist:: 
    :columns: 3 
 
    * :c:data:`fock_matrix_ao_alpha` 
    * :c:data:`fock_matrix_ao_alpha` 
    * :c:data:`mo_coef` 
    * :c:data:`distributed_davidson` 
    * :c:data:`level_shift` 
    * :c:data:`mo_coef` 
    * :c:data:`pt2_e0_denominator` 
    * :c:data:`pt2_stoch_istate` 
    * :c:data:`read_wf` 
    * :c:data:`state_average_weight` 
    * :c:data:`threshold_generators`