EEX: Energy Expression Exchange

A scratch repo for EEX ideas. Will be deleted.

Installation

To do a local install of the Python directory,

pip install -e .

Testing

Tests can be run using py.test -v once installed.

Language

• Functional Form: An algebraic expression of the energy
• Parameters: Associated static parameters for Functional Forms
• Term: A given set of Atoms, Functional Form, and Parameter set
• Energy Expression: Sum of all terms for a given system

• Words are arbitrarily capsed until we add in symlinks