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Pull requests: NQCD/NQCDynamics.jl

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Pull requests list

Precompiling dynamics without making run_dynamics type unstable
#401 opened May 28, 2025 by Alexsp32 Loading…
@Alexsp32 @Snowd1n
1
Implement Density Matrix dynamics and NonEquilibrium Sampling
#399 opened May 20, 2025 by mlarkin863 • Draft
1
(more) Initial conditions - H-atom scattering paper changes - to be extended to diatomics
#397 opened May 20, 2025 by clbox • Draft
1
@clbox
Implementing Caches
#396 opened May 20, 2025 by Alexsp32 • Draft
3
@Ash-Baldwin
CompatHelper: bump compat for SciMLOperators to 1, (keep existing compat)
#393 opened May 18, 2025 by github-actions bot Loading…
CompatHelper: bump compat for Interpolations to 0.16, (keep existing compat)
#391 opened May 16, 2025 by github-actions bot Loading…
CompatHelper: bump compat for SciMLOperators to 0.4, (keep existing compat)
#388 opened May 13, 2025 by github-actions bot Loading…
CompatHelper: bump compat for NQCBase to 0.3, (keep existing compat)
#377 opened Mar 8, 2025 by github-actions bot Loading…
CompatHelper: bump compat for AdvancedHMC to 0.7, (keep existing compat)
#375 opened Mar 7, 2025 by github-actions bot Loading…
⬆️ Add compat for NQCBase v0.3
#373 opened Mar 6, 2025 by Alexsp32 Loading…
1
CompatHelper: add new compat entry for MACEModels in [weakdeps] at version 1, (keep existing compat)
#372 opened Mar 4, 2025 by github-actions bot Loading…
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