/COLCRYAnalysis

Analysis of colloidal crystal structures and their energetics based on radial distribution functions for all i-j pairs in each crystal. Rankings are based on user-defined pair potentials (Hamiltonian) which reflect their relative stabilities in the ground state (T = 0) limit.

Primary LanguagePythonOtherNOASSERTION

Colloidal Crystal Structure and Energy Analysis

Nathan A. Mahynski

Status

Build Status Open Source Love Code Issues Latest Release

Description

From radial distribution functions, calculate the ground state (T --> 0) free energy (potential energy) of 2D and 3D lattices, then rank them. See example/example.ipynb for usage.

Installation:

$ git clone https://github.com/mahynski/COLCRYAnalysis.git

Dependencies

  1. Numpy (http://www.numpy.org/)

Unittesting

$ cd unittests
$ python run_tests.py