Skip to content

v0.3.0

Choose a tag to compare

View all tags
@github-actions github-actions released this 21 Feb 17:09
· 23 commits to main since this release
v0.3.0
aef3d8e

What's Changed

Added

  • Added support for Python 3.13
  • Updated to metatensor-torch version 0.7
  • Add a method to select a subset of a neighbor list based on a new cutoff (torchpme.tuning.tuner.TunerBase.filter_neighbors)
  • Added an Ewald calculator for computing dipole-dipole interactions (torchpme.CalculatorDipole) using a dipolar potential (torchpme.PotentialDipole)
  • Better documentation for for cell, charges and positions parameters

Removed

  • Remove device and dtype from the init from all Calculator, Potential
    and Tuning classes

Full Changelog: v0.2.0...v0.3.0

Assets 4
Loading