pysisyphus.wavefunction package
===============================

Subpackages
-----------

.. toctree::
   :maxdepth: 4

   pysisyphus.wavefunction.ints
   pysisyphus.wavefunction.ints_numba

Submodules
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pysisyphus.wavefunction.Basis module
------------------------------------

.. automodule:: pysisyphus.wavefunction.Basis
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pysisyphus.wavefunction.DIIS module
-----------------------------------

.. automodule:: pysisyphus.wavefunction.DIIS
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pysisyphus.wavefunction.backend\_numba module
---------------------------------------------

.. automodule:: pysisyphus.wavefunction.backend_numba
   :members:
   :undoc-members:
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pysisyphus.wavefunction.backend\_numba\_multipole module
--------------------------------------------------------

.. automodule:: pysisyphus.wavefunction.backend_numba_multipole
   :members:
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pysisyphus.wavefunction.backend\_python module
----------------------------------------------

.. automodule:: pysisyphus.wavefunction.backend_python
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pysisyphus.wavefunction.bond\_order module
------------------------------------------

.. automodule:: pysisyphus.wavefunction.bond_order
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pysisyphus.wavefunction.cart2sph module
---------------------------------------

.. automodule:: pysisyphus.wavefunction.cart2sph
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pysisyphus.wavefunction.density\_numba module
---------------------------------------------

.. automodule:: pysisyphus.wavefunction.density_numba
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pysisyphus.wavefunction.dma module
----------------------------------

.. automodule:: pysisyphus.wavefunction.dma
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pysisyphus.wavefunction.excited\_states module
----------------------------------------------

.. automodule:: pysisyphus.wavefunction.excited_states
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pysisyphus.wavefunction.gdma\_int module
----------------------------------------

.. automodule:: pysisyphus.wavefunction.gdma_int
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pysisyphus.wavefunction.gen\_ints module
----------------------------------------

.. automodule:: pysisyphus.wavefunction.gen_ints
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pysisyphus.wavefunction.helpers module
--------------------------------------

.. automodule:: pysisyphus.wavefunction.helpers
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pysisyphus.wavefunction.localization module
-------------------------------------------

.. automodule:: pysisyphus.wavefunction.localization
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pysisyphus.wavefunction.multipole module
----------------------------------------

.. automodule:: pysisyphus.wavefunction.multipole
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pysisyphus.wavefunction.normalization module
--------------------------------------------

.. automodule:: pysisyphus.wavefunction.normalization
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pysisyphus.wavefunction.pop\_analysis module
--------------------------------------------

.. automodule:: pysisyphus.wavefunction.pop_analysis
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pysisyphus.wavefunction.shells module
-------------------------------------

.. automodule:: pysisyphus.wavefunction.shells
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pysisyphus.wavefunction.shells\_molcas module
---------------------------------------------

.. automodule:: pysisyphus.wavefunction.shells_molcas
   :members:
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pysisyphus.wavefunction.shells\_pyscf module
--------------------------------------------

.. automodule:: pysisyphus.wavefunction.shells_pyscf
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pysisyphus.wavefunction.shells\_trexio module
---------------------------------------------

.. automodule:: pysisyphus.wavefunction.shells_trexio
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pysisyphus.wavefunction.so\_coupling module
-------------------------------------------

.. automodule:: pysisyphus.wavefunction.so_coupling
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pysisyphus.wavefunction.solid\_harmonics module
-----------------------------------------------

.. automodule:: pysisyphus.wavefunction.solid_harmonics
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pysisyphus.wavefunction.wavefunction module
-------------------------------------------

.. automodule:: pysisyphus.wavefunction.wavefunction
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Module contents
---------------

.. automodule:: pysisyphus.wavefunction
   :members:
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