Metadata-Version: 1.1
Name: atsim.potentials
Version: 0.1.1
Summary: atsim.potentials provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS
Home-page: https://bitbucket.org/mjdr/atsim_potentials
Author: M.J.D. Rushton
Author-email: m.rushton@imperial.ac.uk
License: Apache License (2.0)
Download-URL: https://bitbucket.org/mjdr/atsim_potentials/get/0.0.0.tar.gz
Description: ***********************************************************************************************
        ``atsim.potentials`` - python modules for working with potential models in atomistic simulation
        ***********************************************************************************************
        
        Python modules and scripts to support atomistic simulation; ``atsim.potentials`` provides tools for working with pair and embedded atom method potential models. 
        
        In particular includes functions for tabulation of pair and EAM models for `LAMMPS`_ and `DL_POLY`_.
        
        Documentation
        =============
        
        Documentation, containing examples, API reference etc is hosted at http://atsimpotentials.readthedocs.org
        
        Installation
        ============
        
        Install Using Pip
        -----------------
        
        If you have `Pip <http://www.pip-installer.org/>`_ type the following to install ``atsim.potentials``:
        
        .. code:: sh
        	
        	pip install atsim.potentials
        
        
        Install from Source
        -------------------
        
        The source is hosted on `bitbucket`_ and can be cloned using `mercurial`_ as follows:
        
        .. code:: sh
        
        	hg clone https://bitbucket.org/mjdr/atsim_potentials  
        
        
        alternatively a tarball of the source can be downloaded from the bitbucket downloads page `here <https://bitbucket.org/mjdr/atsim_potentials/downloads>`_ 
        
        From the source directory install ``atsim.potentials`` using the following command:
        
        .. code:: sh
        
        	python setup.py install
        
        Contact
        =======
        
        ``atsim.potentials`` was developed by Michael Rushton, if you have any problems, suggestions or queries please get in touch (contact details are available from my `homepage`_).
        
        
        License
        =======
        
        ``atsim.potentials`` is licensed under the Apache 2.0 license. For more information,
        please see LICENSE and NOTICE file.
        
        
        .. _LAMMPS: http://lammps.sandia.gov
        .. _DL_POLY: http://www.stfc.ac.uk/cse/25526.aspx
        .. _homepage: http://abulafia.mt.ic.ac.uk/groupmembers/michael
        .. _bitbucket: http://https://bitbucket.org/mjdr/atsim_potentials/
        .. _mercurial: http://mercurial.selenic.com
        
Keywords: pair potentials,embedded atom model,LAMMPS,DL_POLY,potential tabulation,atomistic,simulation,molecular dynamics,atomic scale
Platform: UNKNOWN
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Programming Language :: Python :: 2.7
Classifier: Topic :: Scientific/Engineering
