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Pull requests: NQCD/NQCDynamics.jl

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Pull requests list

Add JLD2.jl installation instructions to saving/loading documentation
#457 opened Feb 11, 2026 by Copilot AI Loading…
1
@Alexsp32
Minor update: v1.0.3
#455 opened Feb 11, 2026 by Alexsp32 Loading…
3 tasks
@Alexsp32 @mlarkin863
@htsnowden @Ash-Baldwin
Add OutputReduction to organize ensemble results by output type
#454 opened Feb 10, 2026 by Copilot AI • Draft
14 tasks done
1
@Alexsp32
2
📝 Update docs for NQCBase.Structure type
#453 opened Feb 9, 2026 by Alexsp32 Loading…
3
CompatHelper: bump compat for OrdinaryDiffEqCore to 3, (keep existing compat)
#451 opened Jan 16, 2026 by github-actions bot Loading…
CompatHelper: bump compat for Optim to 2, (keep existing compat)
#450 opened Jan 10, 2026 by github-actions bot Loading…
CompatHelper: bump compat for PythonCall in [extras] to 0.9, (keep existing compat)
#449 opened Dec 16, 2025 by github-actions bot Loading…
CompatHelper: bump compat for JSON in [extras] to 1, (keep existing compat)
#447 opened Dec 13, 2025 by github-actions bot Loading…
@Alexsp32
1
CompatHelper: bump compat for OrdinaryDiffEqCore to 2, (keep existing compat)
#446 opened Dec 12, 2025 by github-actions bot Loading…
📄 Update documentation for NQCModels#64
#441 opened Dec 1, 2025 by Alexsp32 Loading…
2
📝 Documentation overview of all unit tests.
#440 opened Nov 11, 2025 by Alexsp32 Loading…
@Alexsp32
3
Add post-processing option for surface site classification
#437 opened Nov 7, 2025 by Alexsp32 • Draft
1 of 3 tasks
@Alexsp32
Update Diatomic molecule desorption logic
#436 opened Oct 27, 2025 by Alexsp32 • Draft
CompatHelper: bump compat for OrdinaryDiffEq to 6, (keep existing compat)
#430 opened Sep 4, 2025 by github-actions bot Loading…
CompatHelper: add new compat entry for MACEModels in [weakdeps] at version 1, (keep existing compat)
#411 opened Jul 9, 2025 by github-actions bot Loading…
CompatHelper: bump compat for AdvancedHMC to 0.8, (keep existing compat)
#402 opened Jun 5, 2025 by github-actions bot Loading…
1
Precompiling dynamics without making run_dynamics type unstable
#401 opened May 28, 2025 by Alexsp32 Loading…
@Alexsp32 @htsnowden
2
CompatHelper: bump compat for AdvancedHMC to 0.7, (keep existing compat)
#375 opened Mar 7, 2025 by github-actions bot Loading…
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