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

Application domains
-------------------

.. autosummary::
   :toctree: generated
   :recursive:

   matscipy.dislocation
   matscipy.elasticity
   matscipy.electrochemistry
   matscipy.fracture_mechanics
   matscipy.pressurecoupling


Structure and topology generation
---------------------------------

.. autosummary::
   :toctree: generated
   :recursive:

   matscipy.hydrogenate
   matscipy.opls


Analysis tools
--------------

.. autosummary::
   :toctree: generated
   :recursive:

   matscipy.angle_distribution
   matscipy.atomic_strain
   matscipy.deformation
   matscipy.drift
   matscipy.hessian_finite_differences
   matscipy.neighbours
   matscipy.numerical
   matscipy.rings
   matscipy.spatial_correlation_function


Interatomic potentials
----------------------

.. autosummary::
   :toctree: generated
   :recursive:

   matscipy.calculators.calculator
   matscipy.calculators.committee
   matscipy.calculators.eam
   matscipy.calculators.ewald
   matscipy.calculators.fitting
   matscipy.calculators.manybody
   matscipy.calculators.mcfm
   matscipy.calculators.pair_potential
   matscipy.calculators.polydisperse
   matscipy.calculators.supercell_calculator


Utility functions
-----------------

.. autosummary::
   :toctree: generated
   :recursive:

   matscipy
   matscipy.io
   matscipy.numpy_tricks
   matscipy.logger