fix restarting lammps simulations#370

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qindrew wants to merge 13 commits intoSSAGESLabs:mainfrom

qindrew:develop

Commits on Nov 20, 2025

Fix lammps restart
qindrew
authored

Commits on Nov 25, 2025

Sync pysages/ with installed version from site-packages
Andrew Qin
committed
clean up changes
Andrew Qin
committed
add funnel_metadabf
Andrew Qin
committed

Commits on Nov 26, 2025

add static bias method
Andrew Qin
committed
update methods/__init__.py to include funnel_metadabf.py
Andrew Qin
committed
bug fix
Andrew Qin
committed

Commits on Jan 4, 2026

include shiftable sigmoid as CV
Andrew Qin
committed

Commits on Jan 13, 2026

fix bug with ncalls, now uses hist[I_xi] to determine fitting regime
Andrew Qin
committed
add optional NN hyperparameters in CV definition and new unbaised funnel simulation method
Andrew Qin
committed
bug fix
Andrew Qin
committed
bug fix
Andrew Qin
committed

Commits on Jan 14, 2026

fix restarting for funnel unbiased
Andrew Qin
committed