.. _namespace_calc:

Namespace calc
==============


Namespace containing thermochemistry calculation functions. 




Detailed Description
--------------------

This namespace encapsulates all functions related to molecular thermochemistry calculations, including statistical mechanics, thermodynamic properties, and ensemble averaging. 





Classes
-------


- :ref:`exhale_struct_structcalc_1_1ThermoResult`


Functions
---------


- :ref:`exhale_function_namespacecalc_1ac7da948a3d571d6ffaa522d5ef3a5358`

- :ref:`exhale_function_namespacecalc_1ab1264b204ac9afa394ffab8ef5567022`

- :ref:`exhale_function_namespacecalc_1a1a1fb7fad14d81ad705f5fe24712b047`

- :ref:`exhale_function_namespacecalc_1a581f703973b22c35574fd48cb6ebc68a`

- :ref:`exhale_function_namespacecalc_1a128d77d04972bc013f56403c7f9e4f0e`

- :ref:`exhale_function_namespacecalc_1a535d33e17ac85525495f34140eb85b71`

- :ref:`exhale_function_namespacecalc_1a90f2f212012208e2cdccce1fe10bb29b`

- :ref:`exhale_function_namespacecalc_1a85484cc72c630b3f373b30b9ecd71386`

- :ref:`exhale_function_namespacecalc_1a9115938dfa1712806362cf39a8b1b811`

- :ref:`exhale_function_namespacecalc_1a83b147572b28076489462c43d647d444`