Published January 29, 2026 | Version v0.3.0
Software Open

wexlergroup/FreeBird.jl: v0.3.0

Authors/Creators

  • 1. Washington University in St. Louis

Description

FreeBird v0.3.0

Diff since v0.2.2

New features (no breaking changes)

  • Introduced PyMLPotential to load in ASE-compatible machine-learned interatomic potentials (MLIPs).
  • Introduced MLIPAtomWalkers that can be used with PyMLPotential calculators.
  • Added documentation to explain how to use MLIPs in FreeBird.jl.
  • Implemented interacting_energy and frozen_energy methods for MLIP potentials.
  • Implemented MC_mixed_moves! for MLIP workflows.

Merged pull requests:

  • Feature/ml uma (#123) (@junchichen21)
  • MLIPs in FreeBird (#124) (@yangmr04)

Files

wexlergroup/FreeBird.jl-v0.3.0.zip

Files (139.4 kB)

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Additional details

Related works

Is supplement to
Software: https://github.com/wexlergroup/FreeBird.jl/tree/v0.3.0 (URL)

Software

Repository URL
https://github.com/wexlergroup/FreeBird.jl