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appautomaton
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mlx-atomistic
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Merge pull request #60 from appautomaton/feat/dft-upf-periodic-nonlocal
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Add periodic norm-conserving UPF execution
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Merge pull request #59 from appautomaton/feat/dft-gth-fidelity-oracles
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Establish source-bound UPF local fidelity
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Merge pull request #58 from appautomaton/feat/dft-mgo-uzh-transferabi…
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Admit point-group MgO EOS runs safely
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Refine direct Davidson Rayleigh quotients
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Merge pull request #56 from appautomaton/feat/dft-mgo-q10-feasibility
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Refresh MgO q10 feasibility evidence
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Implement point-group SCF density reconstruction
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Merge pull request #54 from appautomaton/fix/dft-phase7-evidence
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Harden DFT transferability evidence
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Add finite-displacement periodic phonons
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