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Fix release history lost in previous merge conflict
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Yoshanuikabundi committed Aug 16, 2021
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Expand Up @@ -93,6 +93,11 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
- Virtual sites now expose the parameters used to create its local frame via the read-only properties
- [`VirtualSite.local_frame_weights`](openff.toolkit.topology.VirtualSite.local_frame_weights)
- [`VirtualSite.local_frame_position`](openff.toolkit.topology.VirtualSite.local_frame_position)
- Adding virtual sites via the `Molecule` API now have defaults for `sigma`, `epsilon`, and `charge_increment`
set to 0 with appropriate units, rather than `None`
- [PR #956](https://github.com/openforcefield/openforcefield/pull/956): Added
[`ForceField.get_partial_charges()`](openff.toolkit.typing.engines.smirnoff.forcefield.ForceField.get_partial_charges)
to more easily compute the partial charges assigned by a force field for a molecule.
- [PR #1006](https://github.com/openforcefield/openff-toolkit/pull/1006):
Two behavior changes in the SMILES output for `to_file()` and `to_file_obj()`:
- The RDKit and OpenEye wrappers now output the same SMILES as `to_smiles()`.
Expand All @@ -101,6 +106,7 @@ Releases follow the `major.minor.micro` scheme recommended by [PEP440](https://w
the consistency between the OpenEye and RDKit outputs.



### Bugfixes

- [PR #1024](https://github.com/openforcefield/openforcefield/pull/1024): Small changes
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