pysisyphus package
==================

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

.. toctree::
   :maxdepth: 4

   pysisyphus.benchmarks
   pysisyphus.calculators
   pysisyphus.cos
   pysisyphus.db
   pysisyphus.diabatization
   pysisyphus.drivers
   pysisyphus.dynamics
   pysisyphus.franckcondon
   pysisyphus.hindered_rotor
   pysisyphus.intcoords
   pysisyphus.interpolate
   pysisyphus.io
   pysisyphus.irc
   pysisyphus.line_searches
   pysisyphus.marcus_dim
   pysisyphus.modefollow
   pysisyphus.numerov
   pysisyphus.numint
   pysisyphus.optimizers
   pysisyphus.partfuncs
   pysisyphus.plotters
   pysisyphus.stocastic
   pysisyphus.tests
   pysisyphus.tsoptimizers
   pysisyphus.wavefunction
   pysisyphus.wrapper

Submodules
----------

pysisyphus.Geometry module
--------------------------

.. automodule:: pysisyphus.Geometry
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pysisyphus.MOCoeffs module
--------------------------

.. automodule:: pysisyphus.MOCoeffs
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pysisyphus.TablePrinter module
------------------------------

.. automodule:: pysisyphus.TablePrinter
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pysisyphus.color module
-----------------------

.. automodule:: pysisyphus.color
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pysisyphus.config module
------------------------

.. automodule:: pysisyphus.config
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pysisyphus.constants module
---------------------------

.. automodule:: pysisyphus.constants
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pysisyphus.elem\_data module
----------------------------

.. automodule:: pysisyphus.elem_data
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pysisyphus.exceptions module
----------------------------

.. automodule:: pysisyphus.exceptions
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pysisyphus.executors module
---------------------------

.. automodule:: pysisyphus.executors
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pysisyphus.filtertrj module
---------------------------

.. automodule:: pysisyphus.filtertrj
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pysisyphus.finite\_diffs module
-------------------------------

.. automodule:: pysisyphus.finite_diffs
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pysisyphus.helpers module
-------------------------

.. automodule:: pysisyphus.helpers
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pysisyphus.helpers\_pure module
-------------------------------

.. automodule:: pysisyphus.helpers_pure
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pysisyphus.hessian\_proj module
-------------------------------

.. automodule:: pysisyphus.hessian_proj
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pysisyphus.init\_logging module
-------------------------------

.. automodule:: pysisyphus.init_logging
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pysisyphus.linalg module
------------------------

.. automodule:: pysisyphus.linalg
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pysisyphus.linalg\_affine3 module
---------------------------------

.. automodule:: pysisyphus.linalg_affine3
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pysisyphus.pack module
----------------------

.. automodule:: pysisyphus.pack
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pysisyphus.peakdetect module
----------------------------

.. automodule:: pysisyphus.peakdetect
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pysisyphus.plot module
----------------------

.. automodule:: pysisyphus.plot
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pysisyphus.plot\_ascii module
-----------------------------

.. automodule:: pysisyphus.plot_ascii
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pysisyphus.run module
---------------------

.. automodule:: pysisyphus.run
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pysisyphus.socket\_helper module
--------------------------------

.. automodule:: pysisyphus.socket_helper
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pysisyphus.testing module
-------------------------

.. automodule:: pysisyphus.testing
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pysisyphus.thermo module
------------------------

.. automodule:: pysisyphus.thermo
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pysisyphus.timing module
------------------------

.. automodule:: pysisyphus.timing
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pysisyphus.trj module
---------------------

.. automodule:: pysisyphus.trj
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pysisyphus.typing module
------------------------

.. automodule:: pysisyphus.typing
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pysisyphus.version module
-------------------------

.. automodule:: pysisyphus.version
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pysisyphus.xyzloader module
---------------------------

.. automodule:: pysisyphus.xyzloader
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pysisyphus.yaml\_mods module
----------------------------

.. automodule:: pysisyphus.yaml_mods
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Module contents
---------------

.. automodule:: pysisyphus
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