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Issues: cesmix-mit/AtomisticComposableWorkflows
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Should this function be added to InteratomicBasisPotentials.jl?
#15
opened Sep 20, 2022 by
emmanuellujan
Use DFTK.jl to generate Hf+O2 and HfB2+O2 data.
enhancement
New feature or request
#14
opened Sep 19, 2022 by
emmanuellujan
Validate the physical variables of the MD
enhancement
New feature or request
#13
opened Sep 19, 2022 by
emmanuellujan
Incorrect energy block calculation of matrix A in fit-snap.jl
#10
opened Jul 15, 2022 by
emmanuellujan
Integrating DFTK.jl into the active learning workflow
enhancement
New feature or request
#6
opened Jul 8, 2022 by
emmanuellujan
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