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Batch calculation workchain#10

Merged
BTSpeake merged 9 commits into
stfc:mainfrom
BTSpeake:batch_calculation_from_trajectory
Jul 1, 2026
Merged

Batch calculation workchain#10
BTSpeake merged 9 commits into
stfc:mainfrom
BTSpeake:batch_calculation_from_trajectory

Add support for supplying an .xyz based trajectory file to the BatchP…

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pytest (3.11)
succeeded Jul 1, 2026 in 28s