.. _file_utilities_module_executor.h:

File module_executor.h
======================

|exhale_lsh| :ref:`Parent directory <dir_utilities>` (``utilities``)

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



Command execution functions for Gaussian Extractor. 



.. contents:: Contents
   :local:
   :backlinks: none

Definition (``utilities/module_executor.h``)
--------------------------------------------




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

Le Nhan Pham 

2025

This header defines the module execution functions that implement the actual functionality for each supported command in Gaussian Extractor. These functions are called by the main application after command parsing.


Execution Functions



- execute_extract_command: Process Gaussian log files and extract thermodynamic data

- execute_check_done_command: Identify and organize completed calculations

- execute_check_errors_command: Identify and organize failed calculations

- execute_check_pcm_command: Identify PCM convergence failures

- execute_check_all_command: Run comprehensive job status checks

- execute_high_level_kj_command: Calculate high-level energies with kJ/mol output

- execute_high_level_au_command: Calculate high-level energies with atomic unit output 







Includes
--------


- ``command_system.h`` (:ref:`file_utilities_command_system.h`)






Functions
---------


- :ref:`exhale_function_group__ModuleExecutors_1ga5f1a9bdbc166546e200c5bbb2aa5db30`

- :ref:`exhale_function_group__ModuleExecutors_1ga97d4d0bad6dab32f1d5b92d4ea09c80b`

- :ref:`exhale_function_group__ModuleExecutors_1ga530afea0ae66ae1aef943507742b3125`

- :ref:`exhale_function_group__ModuleExecutors_1ga4f5c061099b04712ebc615b32108fdd5`

- :ref:`exhale_function_group__ModuleExecutors_1ga02765a7766f40fab78024f30a1b3f9ff`

- :ref:`exhale_function_group__ModuleExecutors_1ga6d8429398cd99549f485628a27b0623a`

- :ref:`exhale_function_group__ModuleExecutors_1gaa356f7897fc875da426df1cf3c9c5b99`

- :ref:`exhale_function_group__ModuleExecutors_1gab27343ef2ae55f92b21f39e17f788f4c`

- :ref:`exhale_function_group__ModuleExecutors_1gab1aa2594a8bb3d2789d37593f69cbc5e`

- :ref:`exhale_function_group__ModuleExecutors_1gaefd8d559f7f798aaf8cb5f6feb9dce47`