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skw32 / DefectCorrectionsNotebook / 64

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Ran 19 May 2019 03:10PM UTC
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Fixed bug in read_coords (fractional coordinates were being stored in list with different indices than default cartesians), added extra cndition when assigning sigma value for FNV charge model to ensure it is never larger than half min supercell dimension and added extra sample data with unrelaxed defect supercells for testing planar average potential alignment method. NOTE: atomic_V in conda package repo needs to be updated for atom centre pa plots.
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ID Job ID Ran Files Coverage
1 64.1 19 May 2019 03:10PM UTC 0
Travis Job 64.1
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