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

adccore: C++ core library

This page contains a reference of the adccore C++ library and its classes and functions generated automatically from the adccore source code. The functions and classes discussed here are exposed to Python as the :ref:`libadcc` python module.

Reference state

This category lists the adccore functionality, which imports the data from the :cpp:class:`adcc::HartreeFockSolution_i` interface into the :cpp:class:`adcc::ReferenceState` for internal use by the library. See :ref:`hostprograms` for details how to connect host programs to adcc. Important classes in the process are :cpp:class:`adcc::MoSpaces`, which collects information about the occupied and virtual orbital spaces, and :cpp:class:`adcc::MoIndexTranslation`, which maps orbitals indices between the ordering used by adccore and the one used by the SCF program.

.. doxygengroup:: ReferenceObjects
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Perturbation theory

:cpp:class:`adcc::LazyMp` lazily computes second-order and third-order Møller-Plesset perturbation theory on top of the reference held by a :cpp:class:`adcc::ReferenceState`.

.. doxygengroup:: PerturbationTheory
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AdcMatrix and matrix cores

:cpp:class:`adcc::AdcMatrix` sets up a representation of the ADC matrix for a particular method. My the means of matrix cores, which actually do the work, this allows to perform matrix-vector products or access the diagonal of such a matrix under a common interface.

.. doxygengroup:: AdcMatrix
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ADC guess setup

.. doxygengroup:: AdcGuess
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ISR and one-particle densities

.. doxygengroup:: Properties
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Tensor interface

The generalised :cpp:class:`adcc::Tensor` interface used by adcc and adccore to perform tensor operations.

.. doxygengroup:: Tensor
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Utilities

.. doxygengroup:: Utilities
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Metadata access

These classes and functions provide access to metadate about adccore.

.. doxygengroup:: Metadata
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Tensor implementation using libtensor

This section describes the implementation of the Tensor functionality of :cpp:class:`adcc::Tensor` using the libtensor tensor library.

.. doxygengroup:: TensorLibtensor
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