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Feat/energy minimizer
- #64
#64
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sayeg84
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ClementiGroup/mlcg:main
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ClementiGroup/mlcg:feat/energy_minimizer
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Aug 18, 2026
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Feat/energy minimizer
#64
sayeg84
merged 4 commits into
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ClementiGroup/mlcg:main
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feat/energy_minimizer
ClementiGroup/mlcg:feat/energy_minimizer
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Commits on Aug 5, 2026
Feat: batched energy minimizer
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Black energy minimizer file.
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Commits on Aug 7, 2026
Simplify minimize_energy to pure PyTorch; fix bugs; expand tests
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Add CLI for minimize_energy; replace fixed_atoms with free_atoms
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