API Reference
=============

This page contains the API reference for the prop_sapt package.

Dimer Class
-----------

.. automodule:: prop_sapt.molecule
   :members:
   :undoc-members:
   :show-inheritance:

Properties
----------

.. automodule:: prop_sapt.properties
   :members:
   :undoc-members:
   :show-inheritance:

Densities
---------

.. automodule:: prop_sapt.densities
   :members:
   :undoc-members:
   :show-inheritance:

Density Artifacts
-----------------

.. automodule:: prop_sapt.artifacts
   :members:
   :undoc-members:
   :show-inheritance:

Invariant Checks
----------------

.. automodule:: prop_sapt.checks
   :members:
   :undoc-members:
   :show-inheritance:

Fragments
---------

.. automodule:: prop_sapt.fragments
   :members:
   :undoc-members:
   :show-inheritance:

SAPT Driver
-----------

.. automodule:: prop_sapt.sapt_driver
   :members:
   :undoc-members:
   :show-inheritance:

Finite-Field Properties
-----------------------

.. automodule:: prop_sapt.finite_field
   :members:
   :undoc-members:
   :show-inheritance:

Runner
------

.. automodule:: prop_sapt.runner
   :members:
   :undoc-members:
   :show-inheritance:

Run Configuration
-----------------

.. automodule:: prop_sapt.config
   :members:
   :undoc-members:
   :show-inheritance:

Basis Set Overrides
-------------------

.. automodule:: prop_sapt.basis_overrides
   :members:
   :undoc-members:
   :show-inheritance:

Fetching Basis Sets
-------------------

.. automodule:: prop_sapt.basis_fetch
   :members:
   :undoc-members:
   :show-inheritance:

Command-Line Interface
----------------------

.. automodule:: prop_sapt.cli
   :members:
   :undoc-members:
   :show-inheritance:

propSAPT Options
----------------

.. automodule:: prop_sapt.options
   :members:
   :undoc-members:
   :show-inheritance:

Utility Functions
-----------------

.. automodule:: prop_sapt.utils
   :members:
   :undoc-members:
   :show-inheritance:

Point Evaluation
----------------

.. automodule:: prop_sapt.evaluate
   :members:
   :undoc-members:
   :show-inheritance:

Fragment Populations
--------------------

.. automodule:: prop_sapt.partition
   :members:
   :undoc-members:
   :show-inheritance:

Cube Files
----------

.. automodule:: prop_sapt.cubes
   :members:
   :undoc-members:
   :show-inheritance:

Forces
------

.. automodule:: prop_sapt.forces
   :members:
   :undoc-members:
   :show-inheritance: