.. _manual: 

User Manual
===========

The present document contains descriptions of all the keywords available for the user to perform 
quantum chemical calculations. The Table of Contents is formatted based on the actual keyword used in the 
json input file format. For example, "topologies", "model", "keywords", and the rest therein. 

.. list-table:: SCF Keyword Descriptions
   :header-rows: 1

   * - Field
     - Descrption
   * - :ref:`driver`
     - Selects the main type of calculation to be performed
   * - :ref:`topologies`
     - Molecular descriptors: geometry, charge, multiplicity
   * - :ref:`model`
     - Controls the level of theory, basis set, auxiliary basis set
   * - :ref:`system`
     - Controls how EXESS uses the hardware: memory allocation on the GPU, and fragmentation related options. 
   * - :ref:`keywords`
     - Describes the modifiable input parameters for all available methods



.. toctree:: 

  driver 
  topologies
  model
  system
  keywords

.. include:: driver.rst

.. include:: topologies.rst

.. include:: model.rst

.. include:: system.rst 

.. include:: keywords.rst