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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