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Releases: cslominski/hoomd-blue

v3.0.0-beta.6

28 Jun 22:11
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Added

  • md.pair.LJ0804 - 8,4 Lennard-Jones pair potential.
  • md.nlist.Stencil - Stencil algorithm to generate neighbor lists.
  • md.nlist.Tree - BVH algorithm to generate neighbor lists.
  • hoomd.md.Force, hoomd.md.Operation, and hoomd.md.Operations
    objects are now picklable.
  • Manifold constraints using RATTLE with md.methods.NVE,
    md.methods.Langevin and md.methods.Brownian
    • Supporting sphere, ellipsoid, plane, cylinder, gyroid, diamond,
      and primitive manifolds.
  • md.compute.HarmonicAveragedThermodynamicQuantities - More accurate
    thermodynamic quantities for crystals

Changed

  • Raise an exception when initializing systems with invalid particle
    type ids.

Fixed

  • Setting the operations attribute in Simulation objects in specific
    circumstances.
  • Misc documentation updates.
  • 'sim' is not defined error when using md.dihedral potentials.

Removed

  • C++ implemtation of v2 logging infrastructure.