MDTraj 1.9.6
v1.9.6
- Fix compatibility with all versions of astunparse (03753d7)
- Rework CI to be simpler and more maintainable
- Fix deployment of the documentation to the website
- Don't use serials for more than 1 chain (#1612)
- Added
enforcePeriodicBox
option for HDF5Reporter (#1622) - Add time-dependent distance and RDF functions (#1633)
- Add
select
option tocompute_center_of_mass()
(#1640) Topology.join()
can optionally updates resSeq of new residues (#1639)
A total of 7 people contributed to this release.
People with a "+" by their names contributed a patch for the first time.
- Robert T. McGibbon
- Sander Roet
- Ray A. Matsumoto
- Maurice Karrenbrock +
- Kirill Shmilovich
- Heyi Liang +
- Matthew W. Thompson
(Special thank you to Matthew W. Thompson for putting together these release notes)