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Pull requests: NVIDIA/nvalchemi-toolkit-ops
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fix(neighbors): harden selective cluster-tile state
#141
opened Jul 30, 2026 by
zubatyuk
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10 of 15 tasks
fix(dispersion): handle empty DFT-D3 neighbor graphs
#140
opened Jul 30, 2026 by
zubatyuk
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7 of 15 tasks
docs: complete public API docstrings
#139
opened Jul 30, 2026 by
zubatyuk
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6 of 15 tasks
fix(electrostatics): restore reciprocal strain virial
#138
opened Jul 30, 2026 by
zubatyuk
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10 of 15 tasks
fix(neighbors): fill wrapped JAX dual-cutoff PBC lists
#137
opened Jul 30, 2026 by
zubatyuk
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9 of 15 tasks
perf(neighbors): tile partial naive neighbor lists
#134
opened Jul 24, 2026 by
zubatyuk
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12 of 15 tasks
fix(electrostatics): compile explicit single-system batches
#133
opened Jul 24, 2026 by
zubatyuk
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9 of 15 tasks
fix(electrostatics): dechain dependent autograd inputs
#131
opened Jul 22, 2026 by
zubatyuk
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8 of 15 tasks
refactor(neighbors): centralize JAX registration
#130
opened Jul 22, 2026 by
zubatyuk
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9 of 15 tasks
fix(neighbors): support method auto alias
#109
opened Jun 15, 2026 by
zubatyuk
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7 of 15 tasks
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