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File Release Notes and Changelog

Release Name: 2.5.21

No release notes

Change Log
Incompatible changes:

- PDB.PDBConfiguration stores atom positions and temperature factors
  (isotropic and anisotropic) in internal units (nm, nm**2) rather than
  in PDB units (Ang, Ang**2).

  Scripts that access these parameters directly must be updated!

New features:

- New module PDBMoleculeFactory permits to work with molecule objects
  that represent exactly the contents of a PDB file.


- The universe method contiguousObjectOffset behaves more reasonably
  for Collection arguments. It doesn't try to make the whole Collection
  contiguous, which for large Collections is impossible anyway.

- New method Universe.configurationDifference.

- PDB.PDBConfiguration: new attributes basis and reciprocal_basis
  describe the crystallographic unit cell and the reciprocal lattice

- New method ParticleTensor.trace.

- Additional pressure units kbar, MPa and GPa in module Units.

Bug fixes:

- Hierarchical molecule definitions (using groups) in a MoleculeFactory
  lacked the bonds from the subgroups.

- HarmonicForceField now works correctly with periodic boundary conditions.

- NumPy compatibility fixes.