Metadata-Version: 2.1
Name: lammps-step
Version: 0.9.4
Summary: lammps_step
Home-page: https://github.com/molssi-seamm/lammps_step
Author: Paul Saxe
Author-email: psaxe@molssi.org
License: BSD-3-Clause
Keywords: lammps_step
Platform: Linux
Platform: Mac OS-X
Platform: Unix
Platform: Windows
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Description-Content-Type: text/x-rst
Requires-Dist: Pmw
Requires-Dist: configargparse
Requires-Dist: py-cpuinfo
Requires-Dist: pymbar
Requires-Dist: seamm (>=0.9)
Requires-Dist: seamm-ff-util (>=0.9)
Requires-Dist: seamm-util (>=0.9)
Requires-Dist: seamm-widgets (>=0.9)
Requires-Dist: statsmodels

===========
LAMMPS step
===========


.. image:: https://img.shields.io/travis/molssi-seamm/lammps_step.svg
           :target: https://travis-ci.org/molssi-seamm/lammps_step
	   :alt: Build Status

.. image:: https://codecov.io/gh/molssi-seamm/lammps_step/branch/master/graph/badge.svg
	   :target: https://codecov.io/gh/molssi-seamm/lammps_step
	   :alt: Code Coverage

.. image:: https://img.shields.io/lgtm/grade/python/g/molssi-seamm/lammps_step.svg?logo=lgtm&logoWidth=18
	   :target: https://lgtm.com/projects/g/molssi-seamm/lammps_step/context:python
	   :alt: Code Quality

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

.. image:: https://pyup.io/repos/github/molssi-seamm/lammps_step/shield.svg
	   :target: https://pyup.io/repos/github/molssi-seamm/lammps_step/
	   :alt: Updates for Dependencies

.. image:: https://img.shields.io/pypi/v/lammps_step.svg
           :target: https://pypi.python.org/pypi/lammps_step
	   :alt: PyPi VERSION

The LAMMPS step for a SEAMM flowchart


* Free software: BSD license
* Documentation: https://lammps-step.readthedocs.io.


Contributing
------------

Creating a feature branch 
~~~~~~~~~~~~~~~~~~~~~~~~~~

When starting work on a new feature, branch off from the develop branch::

  $ git checkout -b myfeature
  Switched to a new branch "myfeature"

Features
--------

* TODO

Credits
---------

This package was created with Cookiecutter_ and the `molssi-seamm/cookiecutter-seamm-plugin`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-plugin

Developed by the Molecular Sciences Software Institute (MolSSI_),
which receives funding from the `National Science Foundation`_ under
award ACI-1547580

.. _MolSSI: https://www.molssi.org
.. _`National Science Foundation`: https://www.nsf.gov


=======
History
=======

0.1.0 (2017-12-20)
------------------

* First release on PyPI.

0.8.2 (2020-01-25)
------------------

* No significant changes in functionality.
* Incorporating changes to the SEAMM infrastructure, which simplify
  the code for plug-ins.
* Updating the Travis CI to handle incompatible changes in Travis, and
  to use Conda environments in all steps.


