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feat(ir_spectrum): add wider smoothing option and enhance visualization CI #3874: Commit 67d4430 pushed by EricBoittier
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feat(ir_spectrum): add wider smoothing option and enhance visualization Docs #1695: Commit 67d4430 pushed by EricBoittier
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feat(ir_spectrum): update analysis method and summary details CI #3873: Commit 3c8e04b pushed by EricBoittier
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feat(ir_spectrum): update analysis method and summary details Docs #1694: Commit 3c8e04b pushed by EricBoittier
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feat(ir_spectrum): update IR spectrum analysis and summary output Docs #1693: Commit 58df3a4 pushed by EricBoittier
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feat(ir_spectrum): update IR spectrum analysis and summary output CI #3872: Commit 58df3a4 pushed by EricBoittier
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feat(jaxmd): add mm_charge_mode argument for NVE Hellmann–Feynman pre… Docs #1692: Commit 3eacf7f pushed by EricBoittier
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feat(jaxmd): add mm_charge_mode argument for NVE Hellmann–Feynman pre… CI #3871: Commit 3eacf7f pushed by EricBoittier
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asdf Docs #1691: Commit 26ca863 pushed by EricBoittier
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asdf CI #3870: Commit 26ca863 pushed by EricBoittier
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refactor(sample_so3lr_eval_trajectories): update trajectory evaluatio… Docs #1690: Commit 136ea1c pushed by EricBoittier
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refactor(sample_so3lr_eval_trajectories): update trajectory evaluatio… CI #3869: Commit 136ea1c pushed by EricBoittier
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feat(mm-charges): implement Q³ (q3) charge mode for advanced hybrid M… CI #3868: Commit a00e40a pushed by EricBoittier
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feat(mm-charges): implement Q³ (q3) charge mode for advanced hybrid M… Docs #1689: Commit a00e40a pushed by EricBoittier
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feat(mm-charges): add Q² (q2) charge mode for enhanced hybrid ML/MM s… CI #3867: Commit d53c9cb pushed by EricBoittier
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feat(mm-charges): add Q² (q2) charge mode for enhanced hybrid ML/MM s… Docs #1688: Commit d53c9cb pushed by EricBoittier
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feat(mm-charges): introduce Q⁰ (q0) and Q¹ (q1) charge modes for hybr… CI #3866: Commit da5ba6e pushed by EricBoittier
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feat(mm-charges): introduce Q⁰ (q0) and Q¹ (q1) charge modes for hybr… Docs #1687: Commit da5ba6e pushed by EricBoittier
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newest train CI #3865: Commit a7ba2aa pushed by EricBoittier
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newest train Docs #1686: Commit a7ba2aa pushed by EricBoittier
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docs(mm-charges): document latent_dynamic (Mode E) and regenerate CLI… CI #3864: Commit 483d934 pushed by EricBoittier
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docs(mm-charges): document latent_dynamic (Mode E) and regenerate CLI… Docs #1685: Commit 483d934 pushed by EricBoittier
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feat(docs): update hybrid MM charges documentation for new latent_mea… Docs #1684: Commit 79d12b6 pushed by EricBoittier
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feat(docs): update hybrid MM charges documentation for new latent_mea… CI #3863: Commit 79d12b6 pushed by EricBoittier
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feat(cli): extend command-line interface to support --mm-charge-mode … Docs #1683: Commit 7084215 pushed by EricBoittier
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