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Commits on Dec 12, 2024

• [lammps] Fix handling types when restoring (#344)

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Commits on Oct 31, 2024

• Improve wording across example Colab notebooks (#343)

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• Update notebooks to work with latest version of the precompiled Colab environment (#342)

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Commits on Oct 14, 2024

• Upgrade HOOMD-blue and OpenMM in Colab (#341)

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Commits on Sep 27, 2024

• Compat option for jax._src.core.canonicalize_shape (#340)

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Commits on Sep 23, 2024

• Temporaily disable pylint and ruff within trunk

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• Merge pull request #336 from SSAGESLabs/pz/compat

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Commits on Sep 20, 2024

• Add DOI to README (#338)

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• Add DOI to README

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• Update trunk to version 1.22.5 (#337)

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• Update trunk to version 1.22.5

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• [compat] Handle deprecation of jax.Array.device_buffer

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Commits on Aug 22, 2024

• Miscellaneous fixes (#335)

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• Fix padding width (#333)

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• Add options for abf to use pseudo inverse (#334)

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Commits on Aug 15, 2024

• Make it black complaint

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• Fix copy-paste typo

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• Reduce code duplication

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Commits on Aug 14, 2024

• Add spectral abf example to lammps (#332)

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Commits on Aug 9, 2024

• fix Wp word issue & impl option for other methods

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• bug fix: correct assignment of use_np_pinv

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• add options for using np.linalg.pinv for Wp calc

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• Rename outputs

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• Rename outputs

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Commits on Aug 8, 2024

• Rename input file

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Commits on Aug 7, 2024

• Update run.py

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• Update run.py

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• Add spectral abf example to lammps

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Commits on Aug 6, 2024

• [pre-commit.ci] pre-commit autoupdate (#331)

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Commits on Jul 31, 2024

• Sirens sampling method (#330)

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Commits on Jul 24, 2024

• Fix plum compatibility issue caused by 2.3.0 release (#324)

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• Make it black compliant

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• refactor the version checking outside function definition

  

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• fix plum compatibility issue caused by 2.3.0

  

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• [pre-commit.ci] pre-commit autoupdate (#329)

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