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@timurbazhirov timurbazhirov Jul 1, 2025

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We may want to import compute from mat3ra.ide and create a mat3ra.jode for job design


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@timurbazhirov timurbazhirov Jul 1, 2025

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Line #1.    from mat3ra.wode.analyzers.electronic import KPointAnalyzer, CutoffAnalyzer, SmearingAnalyzer, BandsAnalyzer

These are called context providers at current, not analyzers, but the concept is similar


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@VsevolodX VsevolodX Nov 16, 2025

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Line #4.    workflow = BandStructureWorkflow()

workflow = Workflow(WorkflowStandata.get_by_name("band_structure"))


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3 participants