Installation

To install from source, uncompress the source files and, from the directory containing setup.py, run the following command:

python setup.py install

Or, to build in place, run:

python setup.py build_ext --inplace

If you build in place, you will also need to add your eqtools folder to your PYTHONPATH shell variable:

export PYTHONPATH=$PYTHONPATH:/path/to/where/you/put/

Requirements

  • Python

  • Theano

  • Numpy

  • Scipy

  • Pathos

  • ASE

  • Asap3

Usage

Description on how to use the package:

import mff