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learningFrench Public
A collection of mini games aimed at helping with learning French vocabulary.
Python UpdatedMay 16, 2020 -
DefectCorrectionsNotebook Public
A jupyter notebook workflow for performing post-processing finite-size corrections to periodic electronic structure calculations of charged defect supercells compatible with outputs from the softwa…
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AlloySymmetryDegeneracy Public
Workflow to determine the symmetry degeneracy of alloy supercells to allow for the computation of configurational entropy.
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materials Public
Forked from realpython/materialsBonus materials, exercises, and example projects for our Python tutorials
Jupyter Notebook MIT License UpdatedJan 20, 2020 -
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CoFFEE_PoissonSolver_KO_pa Public
Conda package for CoFFEE v1.1 software package with modified file '/PoissonSolver/PS_3D_cy/ps3d.pyx' for performing Kumagai-Oba potential alignment method (doi: 10.1103/PhysRevB.89.195205). For ori…
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pytest-bdd_conda_pkg Public
Conda package for pytest-bdd for compatibility with pylada-light conda package.
Shell UpdatedMay 12, 2019 -
pylada-light_conda_pkg Public
Conda package for pylada-light (https://github.com/pylada/pylada-light)
Shell UpdatedMay 12, 2019 -
PhD thesis (backup for Overleaf)
TeX UpdatedApr 16, 2019 -
FHI-aims_for_PV Public
A collection of tools for simulating photovoltaic materials with the FHI-aims electronic structure software package. Not all tools were developed by myself, these are shared with permission from or…
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ElectronicLatticeMatch Public
Forked from keeeto/ElectronicLatticeMatchHeteroepitaxial lattice matching for electronic applications. Fork for testing interactive workflow. Later development: Look into incoporating matminer retrieve for Step2 to directly import cif fil…
Python GNU General Public License v3.0 UpdatedJul 3, 2018 -
debug_workshop Public
Forked from james-grant1/debug_workshopRepository for the Debugging Numerical Software - Bath 4-5 Jun 2018
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transfer_report Public
First year PhD transfer report write up LaTeX document
TeX UpdatedAug 9, 2016 -