0.18.2 - Bugfix release
Pre-release
Pre-release
Bugfixes
- A bug in the multistate samplers where
logsumexp
was imported fromscipy.misc
(now inscipy.special
) was fixed (#423). - Improve the robustness of opening the netcdf file on resuming of the multi-state samplers by setting the environment variable
HDF5_USE_FILE_LOCKING
to'FALSE'
after 4 failed attempts (#426). - Fixed a bug causing a crash during exception handling (#426).
Other
- Update build infrastructure to match MolSSI cookiecutter (#424, #426).