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@p-zubieta p-zubieta released this 03 May 22:25
v0.2.0
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Learn about vigilant mode.

This new release includes usability enhancements, bugfixes and improvements over these previously existing methods:

  • ABF
  • ANN
  • FUNN

And these new sampling methods:

  • Harmonic biasing
  • Umbrella integration
  • Metadynamics
  • Forward Flux Sampling

In addition, many example scripts and Google Colab notebooks have been added as introductory resources to PySAGES.

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