Metadata-Version: 1.1
Name: falass
Version: 1.0.8
Summary: Neutron and X-ray Reflectometry from Computer Simulation
Home-page: http://people.bath.ac.uk/arm61/falass/
Author: Andrew R. McCluskey
Author-email: arm61@bath.ac.uk
License: MIT
Description-Content-Type: UNKNOWN
Description: ### falass
        
        falass is a pure python library for the calculation of neutron and X-ray reflectometry data from molecular simulation. Currently we support GROMACS output pdb structures, using the `trjconv` command. It is also necessary to know the scattering length of the atoms or beads in your system. For all the elements these can be found freely online. falass will slice your simulation cell into a series of layers and calculate the reflectometry from the Abele matrix formalism. An example Jupyter notebook and dataset is available in the 'example' directory which shows a typical usage of falass.
        
        #### Documentation
        
        API-level documentation is available at: [http://falass.readthedocs.io/en/latest/](http://falass.readthedocs.io/en/latest/) 
        
        #### Install
        
        Either clone the repository and install with:
        
        ```
        python setup.py build
        
        python setup.py install 
        
        python setup.py test
        ```
        
        Or get a build from pip with:
        
        `pip install falass`
        
        [![Build Status](https://travis-ci.org/arm61/falass.svg?branch=0.0.2)](https://travis-ci.org/arm61/falass)
        [![Coverage Status](https://coveralls.io/repos/github/arm61/falass/badge.svg?branch=master)](https://coveralls.io/github/arm61/falass?branch=master)
        [![DOI](https://zenodo.org/badge/112358527.svg)](https://zenodo.org/badge/latestdoi/112358527)
        
Platform: Windows
Platform: Linux
Platform: Solaris
Platform: Mac OS-X
Platform: Unix
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Programming Language :: Python :: 3
