Add enhanced-sampling submodule: metadynamics, boxed dynamics, and loxodynamics#581
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amateurcat wants to merge 4 commits into
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Add enhanced-sampling submodule: metadynamics, boxed dynamics, and loxodynamics#581amateurcat wants to merge 4 commits into
amateurcat wants to merge 4 commits into
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add enhanced_sampling module, reconstruct meta-dynamics functions and moved them into the new module implemented Boxed MD
add loxodynamics
Fix format with pinned ruff 0.15.4
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Adds a self-contained torch_sim.enhanced_sampling submodule of enhanced-sampling methods that compose with any MLIP via SumModel