Code

Update ontology#107

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srmnitc merged 15 commits intomainpyscal/atomRDF:mainfrom update_ontologypyscal/atomRDF:update_ontologyCopy head branch name to clipboardMay 8, 2024

+7,551-6,291

Commits

Commits on May 8, 2024

• update ontology files to 2024.05.08

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  e26970d

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• add triples for subs impurity

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  de7296c

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• add triples for interstitial impurity

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  90f902d

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• change space group items

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  872214c

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• fix bravais lattice

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  51bbe66

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• update examples

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  40ba30b

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• finish cmso update

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  a2e21f7

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• fix inherited defects in workflow

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  c15ea73

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• overhaul workflows

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  4fd7378

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• fix lammps workflow

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  f9a5eac

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• fix workflows

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  335a214

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• clean and update vasp example

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  d6a5d1e

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• add xc functional in vasp

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  defc35f

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• update workflows

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  61b5ee4

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• fix bug with interstitial

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  5f63bc2

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