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debug_workshop
debug_workshop PublicForked from james-grant1/debug_workshop
Repository for the Debugging Numerical Software - Bath 4-5 Jun 2018
C 1
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DefectCorrectionsNotebook
DefectCorrectionsNotebook PublicA 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
AlloySymmetryDegeneracy PublicWorkflow to determine the symmetry degeneracy of alloy supercells to allow for the computation of configurational entropy.
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learningFrench
learningFrench PublicA collection of mini games aimed at helping with learning French vocabulary.
Python
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WMD-group/Eris
WMD-group/Eris PublicMonte Carlo codes to simulate cation disorder in kesterite semiconductors
Jupyter Notebook 4
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