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Pull requests: NQCD/NQCDynamics.jl

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Pull requests list

CompatHelper: bump compat for Roots to 3, (keep existing compat)
#481 opened Apr 14, 2026 by github-actions bot Loading…
CompatHelper: bump compat for SciMLBase to 3, (keep existing compat)
#480 opened Apr 9, 2026 by github-actions bot Loading…
CompatHelper: bump compat for OrdinaryDiffEq to 6, (keep existing compat)
#479 opened Apr 8, 2026 by github-actions bot Loading…
CompatHelper: bump compat for StochasticDiffEq to 6, (keep existing compat)
#478 opened Apr 8, 2026 by github-actions bot Loading…
CompatHelper: bump compat for RecursiveArrayTools to 4, (keep existing compat)
#476 opened Apr 2, 2026 by github-actions bot Loading… OrdinaryDiffEq v6 compatibility
CompatHelper: bump compat for FastBroadcast to 1, (keep existing compat)
#474 opened Mar 31, 2026 by github-actions bot Loading…
Add XYZFileReduction for writing trajectory positions to (ext)XYZ files
#473 opened Mar 20, 2026 by Copilot AI • Draft
1
@Alexsp32
Decouple eigen type annotations from FastLapackInterface in dynamics integrators
#472 opened Mar 20, 2026 by Copilot AI • Draft
1
@Alexsp32
Fix in-place mutation of MCMC state in ring polymer density function
#471 opened Mar 20, 2026 by Copilot AI • Draft
1
@Alexsp32
🐞 Fix diatomic transform
#465 opened Mar 10, 2026 by Alexsp32 Member Loading…
3 tasks done
@Alexsp32
CompatHelper: bump compat for OrdinaryDiffEqCore to 3, (keep existing compat)
#464 opened Mar 6, 2026 by github-actions bot Loading…
CompatHelper: bump compat for Optim to 2, (keep existing compat)
#463 opened Mar 6, 2026 by github-actions bot Loading…
Add JLD2.jl installation instructions to saving/loading documentation
#457 opened Feb 11, 2026 by Copilot AI Loading…
1
@Alexsp32
Add post-processing option for surface site classification
#437 opened Nov 7, 2025 by Alexsp32 Member • Draft
2 of 3 tasks
@Alexsp32
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 Member 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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