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mingzhong15
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feat: temperature-aware NBANDS fallback with linear interpolation
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feat: temperature-aware NBANDS fallback with linear interpolation
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feat: add use_md_temp option for fp SIGMA from model_devi log
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feat: add use_md_temp option for fp SIGMA from model_devi log
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fix: post_md_soap.py path from task subdir and fix MERGE_TRAJ Python …
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feat: add heuristic NBANDS fallback when fp_nbands_esti_data is not p…
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feat: implement SOAP+PCA/UMAP+FPS post-selection and refactor FP cand…
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feat: add dpgen recalc subcommand for FP recalculation with new DFT s…
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feat: add dpgen recalc subcommand for FP recalculation with new DFT s…
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refactor(generator): split run.py into sub-modules and fix import issues
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refactor(generator): split run.py into sub-modules and fix import issues
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chore(release): reconnect v0.13.2 merge history (#1881)
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chore: add mdformat for markdown (#1866)
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