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Lucy Whalley's Projects

python-northumbria-2023 icon python-northumbria-2023

A ChooChoo repository for Northumbria University students attending courses in the 2023/2024 teaching year

python-testing icon python-testing

Holds testing section, a 4-hour workshop session on testing and continuous integration.

python_packaging icon python_packaging

A lesson on Python packaging and publishing, built using the Carpentries Workbench

quaca icon quaca

QuaCa is an open-source library which provides fast calculations of nonequilibrium atom-surface interactions.

qujax icon qujax

Simulating quantum circuits with JAX

slides icon slides

A repository for my talk slides, generated using reveal-md.

thermofun icon thermofun

A code for calculating the standard state thermodynamic properties at a given temperature and pressure.

tutorial icon tutorial

Tutorial site for the 2023 workshop "Open Science with the Atomic Simulation Environment"

vasppy icon vasppy

A Python suite for manipulating VASP input and output

vesta_vectors icon vesta_vectors

A Python 3 script to visualise atomic displacement using the Vesta file format

wiki icon wiki

Collection of notes for sharing

word-count icon word-count

Example project we use in the reproducibility and documentation lessons.

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