.. _file_thermo_thermo.h:

File thermo.h
=============

|exhale_lsh| :ref:`Parent directory <dir_thermo>` (``thermo``)

.. |exhale_lsh| unicode:: U+021B0 .. UPWARDS ARROW WITH TIP LEFTWARDS



Interface layer for integrating :ref:`namespace_OpenThermo` module with :ref:`namespace_ComChemKit`. 


Definition (``thermo/thermo.h``)
--------------------------------




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

Le Nhan Pham 

2025

This header provides the interface layer that bridges :ref:`namespace_ComChemKit`'s command system with the :ref:`namespace_OpenThermo` module, enabling thermodynamic analysis for multiple quantum chemistry programs. 




Includes
--------


- ``commands/command_system.h`` (:ref:`file_commands_command_system.h`)

- ``string``

- ``vector``



Included By
-----------


- :ref:`file_commands_thermo_command.h`




Namespaces
----------


- :ref:`namespace_ThermoInterface`


Classes
-------


- :ref:`exhale_struct_structThermoInterface_1_1ThermoResult`

- :ref:`exhale_struct_structThermoInterface_1_1ThermoSettings`


Functions
---------


- :ref:`exhale_function_namespaceThermoInterface_1a9502e071cadc3c6462c43ea29405cf48`

- :ref:`exhale_function_namespaceThermoInterface_1a5ce20df17caafbc27b8d2125c20198b8`

- :ref:`exhale_function_namespaceThermoInterface_1a92e82f455d6a0ebab987b2618cbb7ab2`

- :ref:`exhale_function_namespaceThermoInterface_1aed791bde1a202470f5eea460f755b82b`

- :ref:`exhale_function_namespaceThermoInterface_1a9b865b712426306c7538e01f6f20f1ce`

- :ref:`exhale_function_namespaceThermoInterface_1a4938677c9cc40c0317a23795f2cfdcbd`

- :ref:`exhale_function_namespaceThermoInterface_1ac4b9e0861c602c436b30784c485a836a`

- :ref:`exhale_function_namespaceThermoInterface_1a6c0210a22e4c05361cc47339b34e01de`

- :ref:`exhale_function_namespaceThermoInterface_1a826817a0069096944b602055efeb86bd`

- :ref:`exhale_function_namespaceThermoInterface_1a00694b5cd1cd0355e7a7de394be492f6`