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streamline geometry missing values (energy has
None
whereas forces as np.nan
)
#55
opened Nov 28, 2024 by
svandenhaute
More verbose SLURM config generator + emphasize need for either container or worker_init
#33
opened Jul 30, 2024 by
svandenhaute
ProTip!
What’s not been updated in a month: updated:<2024-11-25.