skw32 / DefectCorrectionsNotebook / 62

Ran 17 May 2019 12:58PM UTC

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Build # 62

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travis-ci

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skw32

Commit Message

1) Simplified DefectCorrectionsDataset.py and added more sample data for running as script over dataset. Fixed bug in loop for determining sigma value (that overwrote defect info). 2) Clarified documentation for various functions. 3) Started modifying fhiaims_atomic_pot function in AtomPotentialAlignment.py to allow for interstitial defects. Currently issue remaining with atomic_3d (seems to skip defect_line in host supercell by default, which is not compatible with analysis for interstitial defect)

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ID	Job ID	Ran	Files	Coverage
1	62.1	17 May 2019 12:58PM UTC	0		Travis Job 62.1

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