Metadata-Version: 2.0
Name: atomic-hpc
Version: 0.0.1
Summary: A package to ease running some MD and DFT codes, particularly on the Imperial HPC.
Home-page: https://github.com/chrisjsewell/atomic-hpc
Author: Chris Sewell
Author-email: chrisj_sewell@hotmail.com
License: MIT
Keywords: json,units,parser,python
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Environment :: Web Environment
Classifier: Intended Audience :: End Users/Desktop
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 2
Classifier: Programming Language :: Python :: 2.7
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.2
Classifier: Programming Language :: Python :: 3.3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Utilities
Requires-Dist: jsonextended
Requires-Dist: jsonschema
Requires-Dist: ruamel.yaml

atomic-hpc
============

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**Project**: https://github.com/chrisjsewell/atomic-hpc


A package to ease running some MD and DFT codes, particularly on the Imperial HPC.

Installation
------------

As outlined at: https://wiki.imperial.ac.uk/display/HPC/Python

::

    module load anaconda3/personal
    anaconda-setup
    pip install atomic-hpc


Example Use
-----------




