PyKMC

Kinetic Monte Carlo code, specifically targeted to simulating lattice glass models

Info

Started Monday, October 8, 2012 by Glen Hocky

Authors

Glen Hocky

Quick Instructions

To build: python setup.py build_ext -i

To run:

• numpy should be in PYTHONPATH
• add this directory to PYTHONPATH

Contents

• README.md

  This file, describing the overall contents of this code package

• fileio/

  This should contain utilities for writing and reading configurations and trajectories

• models/

  This should contain rules for the dynamics, and code that builds the list of potential moves for the current configuration This now contains lattice definitions and tools for determining neighbors

• tests/

  This should contain scripts that run the code in known configurations to check for expected results