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hackingmaterials / atomate Public

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Fixed bug in ScanOptimizeFW PBEsol step#766

Merged

Zhuoying merged 5 commits intohackingmaterials:mainhackingmaterials/atomate:mainfrom

MichaelWolloch:bugfix_ScanOptimizeFWMichaelWolloch/atomate:bugfix_ScanOptimizeFWCopy head branch name to clipboard

May 19, 2023

Conversation Commits5 (5)Checks Files changed

Merged

Fixed bug in ScanOptimizeFW PBEsol step#766
Zhuoying merged 5 commits intohackingmaterials:mainfrom
MichaelWolloch:bugfix_ScanOptimizeFW

Commits

Commits on Dec 21, 2022

Fixed bug in ScanOptimizeFW PBEsol step
MichaelWolloch
committed
adapted tests to fit new behaviour
MichaelWolloch
committed
Slight adjustment in ultimate metagga_type selection
MichaelWolloch
committed

Commits on Mar 14, 2023

Merge branch 'hackingmaterials:main' into bugfix_ScanOptimizeFW
MichaelWolloch
authored

Commits on Mar 30, 2023

fixed the updating of pre_opt_settings for vdw calculation. That was a bug that made the test fail.
MichaelWolloch
committed

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