precipitates

Repository for computing precipitate sizes in a molecular dynamics run

Example run on Palmetto 2

Add anaconda module

module add anaconda3

Create virtual environment, activate it, and install dependencies (will take awhile)

python -m venv venv
source venv/bin/activate
pip install -r requirements.txt

Run example (will also take awhile, but has a progress message)

python clusters.py

This example run generates clusters.pdf. The run parameters are defined in clusters.py.