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feat: example job creation after getting JARVIS structure #99

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merged 3 commits into from Mar 8, 2024
Merged

feat: example job creation after getting JARVIS structure #99

merged 3 commits into from Mar 8, 2024

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@timurbazhirov timurbazhirov mentioned this pull request Mar 8, 2024
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@knc6 This PR should have the logic for:

  • import data from JARVIS
  • create heterostructure as Jarvis.Atoms
  • create Mat3ra platform entities for film, slab, heterostructure
  • create a job to calculate the Valence Band Offset
  • extract resulting value

VsevolodX
VsevolodX approved these changes Mar 8, 2024
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Conditionally approve

other/jarvis/import_material_from_jarvis_db_entry.ipynb
@@ -134,4 +134,4 @@
},
"nbformat": 4,
"nbformat_minor": 5
}
}
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End of file

@timurbazhirov timurbazhirov merged commit 11fe532 into dev Mar 8, 2024
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@timurbazhirov timurbazhirov deleted the feat/jarvis-material-to-job branch March 8, 2024 04:45
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@VsevolodX VsevolodX VsevolodX approved these changes

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