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casmcode

First-principles statistical mechanical software for the study of multi-component crystalline solids

chargedensity

Class to perform post-processing calculations on VASP charge density data.

corne-wireless-view-zmk-config

dataexploration

Supporting code for a video series on best practices for exploratory data analysis.

electronicdos

Class to perform post-processing calculations on VASP electronic DOS data.

emacs-slack

slack client for emacs

free_energies

Python scripts to create various mixing-model thermodynamics from T=0 K energies as well as finite-T thermodynamic properties.

github-pages-with-jekyll

jeffwdoak.github.io

opencalphad

Open Calphad, thermodynamic calculation code (test)

phasefield

PRISMS Finite Element Phase Field Code

phononmodes

Python class to read in, store, and analyze phonon eigenvalues and eigenvectors.

probabilistic-programming-and-bayesian-methods-for-hackers

aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)

pycalphad

CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

qmpy

A suite of computational materials science tools.

quickstart

Get up and running with Plaid Link and the API in minutes

scipy-2013-git-testing

Git and testing tutorial at SciPy 2013

snorkel

A training data creation and management system focused on information extraction

solar_energy

thinkbayes

Code repository for Think Bayes.

thinkbayes2

Text and code for the second edition of Think Bayes, by Allen Downey.

thinkcomplexity

Code for Allen Downey's book Think Complexity, published by O'Reilly Media.

thinkstats2

Text and supporting code for Think Stats, 2nd Edition

unitcell

Class to create and manipulate crystal unit cell data.

vasp_scripts

Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.

vasprun

Class to perform post-processing calculations on VASP vasprun.xml data.

vimsetup