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0.16.0 releasenotes (#1858)
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j-wags authored Apr 12, 2024
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Expand Up @@ -6,13 +6,7 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
* `minor` increments add features but do not break API compatibility
* `micro` increments represent bugfix releases or improvements in documentation

## Current development

* #1837 Decouples vdW and virtual site parameters.
* #1798 Adds type annotations to most of the codebase.
* #1834 Adds `Molecule.get_available_charge_methods` and `BaseWrapper.supported_charge_methods`.

### API-breaking changes
## 0.16.0

### Behavior changes

Expand All @@ -24,7 +18,9 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w

### Bugfixes

- [PR #1846](https://github.com/openforcefield/openff-toolkit/pull/1846): Band-aids issue [#1842](https://github.com/openforcefield/openff-toolkit/issues/1846), where the Toolkit Showcase example would sporadically fail when run with one core.
- [PR #1846](https://github.com/openforcefield/openff-toolkit/pull/1846): Band-aids issue
[#1842](https://github.com/openforcefield/openff-toolkit/issues/1846), where the Toolkit Showcase example would
sporadically fail when run with one core.

### New features

Expand All @@ -34,8 +30,11 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
SMIRKS by loading it from file or combining multiple FFs, so this also lets you do it using the API.
- [PR #1826](https://github.com/openforcefield/openff-toolkit/pull/1826): Allow writing molecules to `Path`s
- [PR #1797](https://github.com/openforcefield/openff-toolkit/pull/1797): `Topology.from_pdb` can now load more file-like objects, including
`io.StringIO`.
`io.StringIO`.
- [PR #1808](https://github.com/openforcefield/openff-toolkit/pull/1808): Improves default representation of ValenceDict.
- [PR #1834](https://github.com/openforcefield/openff-toolkit/pull/1834): Adds `Molecule.get_available_charge_methods` and `BaseWrapper.supported_charge_methods`.
- [PR #1837](https://github.com/openforcefield/openff-toolkit/pull/1837): Decouples vdW and virtual site parameters.


### Improved documentation and warnings

Expand All @@ -44,6 +43,8 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
- [PR #1786](https://github.com/openforcefield/openff-toolkit/pull/1786): Describe contributing to documentation notebooks in developers guide.
- [PR #1845](https://github.com/openforcefield/openff-toolkit/pull/1845): Update convert_all_strings_to_quantity docstring.
- [PR #1849](https://github.com/openforcefield/openff-toolkit/pull/1849): Add "how are charges assigned?" section to FAQ.
- [PR #1798](https://github.com/openforcefield/openff-toolkit/pull/1798): Adds type annotations to most of the codebase.


### Tests updated
- [PR #1836](https://github.com/openforcefield/openff-toolkit/pull/1836): Update tests to not directly call `numpy.random.random` any more (per [NEP 19](https://numpy.org/neps/nep-0019-rng-policy.html#numpy-random))
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