.. _file_chemsys.h:

File chemsys.h
==============


Core definitions and data structures for :ref:`namespace_OpenThermo` molecular thermochemistry calculations. 


Definition (``chemsys.h``)
--------------------------




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

Le Nhan Pham 

2025

This header file contains fundamental constants, data structures, and type definitions used throughout the :ref:`namespace_OpenThermo` program for molecular thermochemistry calculations. It provides the basic building blocks for representing molecular systems and their properties. 




Includes
--------


- ``array``

- ``cstdint``

- ``string``

- ``vector``



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


- :ref:`file_atommass.h`

- :ref:`file_calc.h`

- :ref:`file_loadfile.h`

- :ref:`file_symmetry.h`

- :ref:`file_util.h`




Classes
-------


- :ref:`exhale_struct_structAtom`

- :ref:`exhale_struct_structExecutionConfig`

- :ref:`exhale_struct_structSystemData`


Enums
-----


- :ref:`exhale_enum_chemsys_8h_1a8dc3881c15e124435bd99ca7a932c230`

- :ref:`exhale_enum_chemsys_8h_1a49c88e4d3be77b2af752f914505efc39`


Functions
---------


- :ref:`exhale_function_chemsys_8h_1a43e73abc14734db6aba4d8cbc73b57b0`

- :ref:`exhale_function_chemsys_8h_1a03c237a59a899a2462c37a87557780f3`


Variables
---------


- :ref:`exhale_variable_group__PhysicalConstants_1gabe20438255ca1965475a88026ac35dc3`

- :ref:`exhale_variable_group__PhysicalConstants_1gae2ae5e865efebd2dc41f637522d3973b`

- :ref:`exhale_variable_group__PhysicalConstants_1gacbad69ff40b53e4943ec373de9888f33`

- :ref:`exhale_variable_group__PhysicalConstants_1ga08e9726d63020aa889f87ab45692fef6`

- :ref:`exhale_variable_group__PhysicalConstants_1ga2cc2a4ceb2612d6ab9c942620b9c991c`

- :ref:`exhale_variable_group__PhysicalConstants_1ga882e6f46cc1a42ed507843a70282527f`

- :ref:`exhale_variable_group__PhysicalConstants_1gaad79d4d510da6847b866d20179d99856`

- :ref:`exhale_variable_group__PhysicalConstants_1ga6221f7bd4aed0f3bf7cb06bfbe5fe64b`

- :ref:`exhale_variable_group__PhysicalConstants_1ga005fe1aa6ae2380ad94fe8462e519da6`

- :ref:`exhale_variable_chemsys_8h_1a7cb9b0a054ad7ce0ac168147821ead16`

- :ref:`exhale_variable_group__PhysicalConstants_1gaa6e8e201edf24007dc075bfef6e8210c`

- :ref:`exhale_variable_chemsys_8h_1a5622b9348968eddc729259f2589b7de1`

- :ref:`exhale_variable_chemsys_8h_1affc7ab2f1e9eb83394c82b400e7e6039`

- :ref:`exhale_variable_chemsys_8h_1a51aa9d83cdf15b4e75957266ff1ef3e6`

- :ref:`exhale_variable_group__PhysicalConstants_1ga7a38b3cc03553f0bbe04275e1b8c9952`

- :ref:`exhale_variable_group__PhysicalConstants_1ga86279b088c80a03261db6897dee03620`

- :ref:`exhale_variable_group__PhysicalConstants_1gaf1c5198edb8a4593849665b64cbc522c`

- :ref:`exhale_variable_group__PhysicalConstants_1gafe8d376848ff195ba7a5955ae8159c1e`

- :ref:`exhale_variable_group__PhysicalConstants_1ga43016d873124d39034edb8cd164794db`

- :ref:`exhale_variable_group__PhysicalConstants_1ga0877420f3d7b1f47b871d2ccb47168d8`

- :ref:`exhale_variable_group__PhysicalConstants_1gae481ebbc060a2e20d4437f62510dc8b9`