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github_url:https://github.com/adc-connect/adcc/blob/master/docs/hostprograms.rst

Connecting host programs to adcc

Documentation for host programs and how to talk to adcc

Python dictionary or HDF5 file

.. autoclass:: adcc.DataHfProvider
    :members: __init__


Host-program specific interface

For implementing a host-program specific interface to adcc, taking advantage of all features of the host program, a derived class of the :class:`adcc.HartreeFockProvider` has to be implemented. The interface for this is:

.. autoclass:: adcc.HartreeFockProvider
    :members:

Examples in the adcc source code for these interface are located in the adcc/backend folder. For example pyscf.py or psi4.py.

Note

TODO Explain the OperatorIntegralProvider and its mechanism.

C++ interface

For directly passing data to libadcc on the C++ level, the following interface needs to be implemented:

.. doxygenclass:: libadcc::HartreeFockSolution_i
   :members: