Release 0.6.8
github-actions
released this
20 Dec 20:58
·
29 commits
to f5aca411399bebbe81b68cce3a4943435d2e6418
since this release
0.6.8 - 2024-04-05
Changed
- Updated
celery
from buggy5.3.1
that would feed gradients toparallel_hessian
in random orders causing the wrong gradients to be applied to the wrong atoms. Now using^5.3.4
which fixes this issue. - Tightened many
>=
package dependencies to more tight^
dependencies to avoid breaking changes in the future. - Changed tests for
parallel_hessian
andparallel_frequency_analysis
to test for correctness of the results rather than just that the function runs without error. This would capture a future regression wherecelery
returns results in the wrong order. - Updated all dependencies to the latest versions. (
poetry update
)