Skip to content

Commit

Permalink
Finalize 0.10.4 release notes (#1255)
Browse files Browse the repository at this point in the history
  • Loading branch information
mattwthompson authored Apr 11, 2022
1 parent ba1865e commit ac3f541
Showing 1 changed file with 9 additions and 7 deletions.
16 changes: 9 additions & 7 deletions docs/releasehistory.md
Original file line number Diff line number Diff line change
Expand Up @@ -10,16 +10,18 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w

### Critical bugfixes

- [PR #1242](https://github.com/openforcefield/openforcefield/pull/1242): A long overdue fix
for [Issue #837](https://github.com/openforcefield/openff-toolkit/issues/837)! If OpenEye is
available, the `ToolkitAM1BCCHandler` will use the ELF10 method to select conformers for AM1BCC
charge assignment.
- [PR #1242](https://github.com/openforcefield/openforcefield/pull/1242): Fixes
[Issue #837](https://github.com/openforcefield/openff-toolkit/issues/837).
If OpenEye Toolkits are available,
[`ToolkitAM1BCCHandler`](openff.toolkit.typing.engines.smirnoff.parameters.ToolkitAM1BCCHandler)
will use the ELF10 method to select conformers for AM1-BCC charge assignment.
- [PR #1184](https://github.com/openforcefield/openforcefield/pull/1184): Fixes
[Issue #1181](https://github.com/openforcefield/openff-toolkit/issues/1181) and
[Issue #1190](https://github.com/openforcefield/openff-toolkit/issues/1190), where in rare cases
double bond stereo would cause `to_rdkit` to raise an error. The transfer of double bond stereochemistry
from OpenFF's E/Z representation to RDKit's local representation is now handled as a constraint
satisfaction problem.
double bond stereochemistry would cause
[`Molecule.to_rdkit`](openff.toolkit.topology.Molecule.to_rdkit) to raise an error. The transfer
of double bond stereochemistry from OpenFF's E/Z representation to RDKit's local representation is
now handled as a constraint satisfaction problem.

## 0.10.3 Bugfix release

Expand Down

0 comments on commit ac3f541

Please sign in to comment.