Tools
=====

Structure Generation Tools
--------------------------

.. automodule:: molSimplify.Scripts.structgen
   :members:
   :undoc-members:
   :show-inheritance:

.. automodule:: molSimplify.Scripts.generator
   :members:
   :undoc-members:
   :show-inheritance:

Geometry Manipulation Tools
---------------------------

.. automodule:: molSimplify.Scripts.geometry
   :members:
   :undoc-members:
   :show-inheritance:

.. automodule:: molSimplify.Scripts.distgeom
   :members:
   :undoc-members:
   :show-inheritance:

.. automodule:: molSimplify.Scripts.rmsd
   :members:
   :undoc-members:
   :show-inheritance:


Cellbuilder Tools
-----------------

.. automodule:: molSimplify.Scripts.cellbuilder
   :members:
   :undoc-members:
   :show-inheritance:

.. automodule:: molSimplify.Scripts.cellbuilder_tools
   :members:
   :undoc-members:
   :show-inheritance:

Input File Generation
---------------------

.. automodule:: molSimplify.Scripts.qcgen
   :members:
   :undoc-members:
   :show-inheritance:

.. automodule:: molSimplify.Scripts.periodic_QE
   :members:
   :undoc-members:
   :show-inheritance:

molSimplify Argument Parser
---------------------------

.. automodule:: molSimplify.Scripts.inparse
   :members:
   :undoc-members:
   :show-inheritance: