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Scott Thiel's Projects

dioptas icon dioptas

Python based GUI-Program for integration and exploration of 2D x-ray diffraction images.

monty icon monty

This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

msdk icon msdk

MSDK source code repository

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

rss-disorder-detection icon rss-disorder-detection

Handles data processing of AIRSS results and idenitifies regions or phases of disorder using cluster analysis on the density of structures in some metric space.

skit icon skit

A set of scripts that help with submitting castep jobs on unity.

website icon website

RPI Ambulance's website—a work in progress

xtalopt icon xtalopt

Official public repository for the XtalOpt crystallographic evolutionary algorithm

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