<commit_before>===============================
Langevin Dynamics
===============================


.. image:: https://img.shields.io/travis/ukurumba/langevin_dynamics.svg
        :target: https://travis-ci.org/ukurumba/langevin_dynamics

.. image:: https://readthedocs.org/projects/langevin--dynamics/badge/?version=latest
        :target: https://langevin--dynamics.readthedocs.io/en/latest/?badge=latest
        :alt: Documentation Status


.. image:: https://codecov.io/gh/ukurumba/langevin_dynamics/branch/master/graph/badge.svg
  		:target: https://codecov.io/gh/ukurumba/langevin_dynamics



### Molecular modelling based on principles of Langevin Dynamics.

This package provides a function wherein a particle's motion is described according to the principles of Langevin dynamics. The function models the particle's motion as a result of a stochastic force accounting for molecular interactions, a dampening force accounting for solvent drag, and a force derived from a given potential energy distribution for the system. User inputs include a coefficient for dampening, a given temperature, initial position and velocity. See usage for documentation on how to use function.




* Free software: MIT license
* Documentation: https://langevin--dynamics.readthedocs.io.


Features
--------

* Contains Langevin dynamics function as well as a few constituent functions for testing purposes. 

Credits
---------

This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage
<commit_msg>more doc changes<commit_after>===============================
Langevin Dynamics
===============================


.. image:: https://img.shields.io/travis/ukurumba/langevin_dynamics.svg
        :target: https://travis-ci.org/ukurumba/langevin_dynamics

.. image:: https://readthedocs.org/projects/langevin--dynamics/badge/?version=latest
        :target: https://langevin--dynamics.readthedocs.io/en/latest/?badge=latest
        :alt: Documentation Status


.. image:: https://codecov.io/gh/ukurumba/langevin_dynamics/branch/master/graph/badge.svg
		:target: https://codecov.io/gh/ukurumba/langevin_dynamics



Molecular modelling based on principles of Langevin Dynamics.
-------------------------------------------------------------

This package provides a function wherein a particle's motion is described according to the principles of Langevin dynamics. The function models the particle's motion as a result of a stochastic force accounting for molecular interactions, a dampening force accounting for solvent drag, and a force derived from a given potential energy distribution for the system. User inputs include a coefficient for dampening, a given temperature, initial position and velocity. See usage for documentation on how to use function.




* Free software: MIT license
* Documentation: https://langevin--dynamics.readthedocs.io.


Features
--------

* Contains Langevin dynamics function as well as a few constituent functions for testing purposes. 

Credits
---------

This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage

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