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Update release notes for v0.2.1 (#247)
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* Update release notes for v0.2.1

* Add link to @Yoshanuikabundi
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Yoshanuikabundi committed Apr 5, 2023
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<!--## Version / Date DD-MM-YYYY -->

## 0.2.1 / 04-05-2023

### New Features
* [#199] - Add option to always keep temporary files by [@Yoshanuikabundi]

### Bug Fixes
* [#235] - Fix bug where atom indices were incorrectly assigned by [@j-wags]
* [#239] - Fix bug where XTB would fail with a large number of inputs by [@jthorton]

### Documentation Updates
* [#212] - Update Psi4 installation instructions by [@mattwthompson]
* [#226] - Fix typo in theory docs by [@xperrylinn]

## 0.2.0 / 12-13-2022

### New Features

* [#198]: Compatibility OpenFF Toolkit 0.11.x [@Yoshanuikabundi]
* [#198] - Compatibility OpenFF Toolkit 0.11.x [@Yoshanuikabundi]


## 0.1.3 / 11-23-2022

### Bug Fixes and New Features

* [#193]: Deal with connectivity changes in QC generation [@Yoshanuikabundi]
* [#161]: Create single-file installers [@mattwthompson]
* [#193] - Deal with connectivity changes in QC generation [@Yoshanuikabundi]
* [#161] - Create single-file installers [@mattwthompson]

### Documentation Updates

* [#156]: Proofread docs and expand bespoke-workflows [@Yoshanuikabundi]
* [#185]: Update Psi4 installation docs [@mattwthompson]
* [#188]: Update quick start guide with MKL option with XTB [@mattwthompson]
* [#191]: Add issue templates [@mattwthompson]
* [#192]: Add FAQ [@Yoshanuikabundi]
* [#156] - Proofread docs and expand bespoke-workflows [@Yoshanuikabundi]
* [#185] - Update Psi4 installation docs [@mattwthompson]
* [#188] - Update quick start guide with MKL option with XTB [@mattwthompson]
* [#191] - Add issue templates [@mattwthompson]
* [#192] - Add FAQ [@Yoshanuikabundi]


## 0.1.2 / 05-17-2022

### Bug Fixes and New Features

* [#151]: Support single FB jobs [@jthorton]
* [#169]: Fix SMIRNOFF angle prior literal validator [@SimonBoothroyd]
* [#170]: Include non-OpenEye tests in CI [@mattwthompson]
* [#151] - Support single FB jobs [@jthorton]
* [#169] - Fix SMIRNOFF angle prior literal validator [@SimonBoothroyd]
* [#170] - Include non-OpenEye tests in CI [@mattwthompson]

### Documentation Updates

* [#148]: Add XTB to optional dependencies docs [@SimonBoothroyd]
* [#149]: Add ANI install instructions [@jthorton]
* [#147]: Add theory docs suggestions [@SimonBoothroyd]
* [#137]: Add theory page in docs [@Yoshanuikabundi]
* [#172]: Update quick start guide to use Psi4/AmberTools stack [@j-wags]
* [#148] - Add XTB to optional dependencies docs [@SimonBoothroyd]
* [#149] - Add ANI install instructions [@jthorton]
* [#147] - Add theory docs suggestions [@SimonBoothroyd]
* [#137] - Add theory page in docs [@Yoshanuikabundi]
* [#172] - Update quick start guide to use Psi4/AmberTools stack [@j-wags]


## 0.1.1 / 03-18-2022

### Bug Fixes

* [#134]: Replace `settings` variable with a function [@SimonBoothroyd]
* [#142]: Deduplicate symmetry equivalent fragments [@jthorton]
* [#144]: Overhaul executor <-> redis interface [@SimonBoothroyd]
* [#134] - Replace `settings` variable with a function [@SimonBoothroyd]
* [#142] - Deduplicate symmetry equivalent fragments [@jthorton]
* [#144] - Overhaul executor <-> redis interface [@SimonBoothroyd]

### New Features

* [#140]: Multi-molecule submissions via the CLI [@jthorton]
* [#138]: Add CLI override for default bespoke QC spec [@SimonBoothroyd]
* [#143]: Parallel torsiondrives [@jthorton]
* [#145]: Add option to `list` CLI to filter by status [@SimonBoothroyd]
* [#146]: Force field combining [@jthorton]
* [#140] - Multi-molecule submissions via the CLI [@jthorton]
* [#138] - Add CLI override for default bespoke QC spec [@SimonBoothroyd]
* [#143] - Parallel torsiondrives [@jthorton]
* [#145] - Add option to `list` CLI to filter by status [@SimonBoothroyd]
* [#146] - Force field combining [@jthorton]

## 0.1.0 / 02-23-2022

The first major release of bespokefit intended for public use.


[#134]: https://github.com/openforcefield/openff-qcsubmit/pull/134
[#137]: https://github.com/openforcefield/openff-qcsubmit/pull/137
[#138]: https://github.com/openforcefield/openff-qcsubmit/pull/138
[#140]: https://github.com/openforcefield/openff-qcsubmit/pull/140
[#142]: https://github.com/openforcefield/openff-qcsubmit/pull/142
[#143]: https://github.com/openforcefield/openff-qcsubmit/pull/143
[#144]: https://github.com/openforcefield/openff-qcsubmit/pull/144
[#145]: https://github.com/openforcefield/openff-qcsubmit/pull/145
[#146]: https://github.com/openforcefield/openff-qcsubmit/pull/146
[#147]: https://github.com/openforcefield/openff-qcsubmit/pull/147
[#148]: https://github.com/openforcefield/openff-qcsubmit/pull/148
[#149]: https://github.com/openforcefield/openff-qcsubmit/pull/149
[#151]: https://github.com/openforcefield/openff-qcsubmit/pull/151
[#156]: https://github.com/openforcefield/openff-qcsubmit/pull/156
[#161]: https://github.com/openforcefield/openff-qcsubmit/pull/161
[#169]: https://github.com/openforcefield/openff-qcsubmit/pull/169
[#170]: https://github.com/openforcefield/openff-qcsubmit/pull/170
[#172]: https://github.com/openforcefield/openff-qcsubmit/pull/172
[#185]: https://github.com/openforcefield/openff-qcsubmit/pull/185
[#188]: https://github.com/openforcefield/openff-qcsubmit/pull/188
[#191]: https://github.com/openforcefield/openff-qcsubmit/pull/191
[#192]: https://github.com/openforcefield/openff-qcsubmit/pull/192
[#193]: https://github.com/openforcefield/openff-qcsubmit/pull/193
[#198]: https://github.com/openforcefield/openff-qcsubmit/pull/198
[#134]: https://github.com/openforcefield/openff-bespokefit/pull/134
[#137]: https://github.com/openforcefield/openff-bespokefit/pull/137
[#138]: https://github.com/openforcefield/openff-bespokefit/pull/138
[#140]: https://github.com/openforcefield/openff-bespokefit/pull/140
[#142]: https://github.com/openforcefield/openff-bespokefit/pull/142
[#143]: https://github.com/openforcefield/openff-bespokefit/pull/143
[#144]: https://github.com/openforcefield/openff-bespokefit/pull/144
[#145]: https://github.com/openforcefield/openff-bespokefit/pull/145
[#146]: https://github.com/openforcefield/openff-bespokefit/pull/146
[#147]: https://github.com/openforcefield/openff-bespokefit/pull/147
[#148]: https://github.com/openforcefield/openff-bespokefit/pull/148
[#149]: https://github.com/openforcefield/openff-bespokefit/pull/149
[#151]: https://github.com/openforcefield/openff-bespokefit/pull/151
[#156]: https://github.com/openforcefield/openff-bespokefit/pull/156
[#161]: https://github.com/openforcefield/openff-bespokefit/pull/161
[#169]: https://github.com/openforcefield/openff-bespokefit/pull/169
[#170]: https://github.com/openforcefield/openff-bespokefit/pull/170
[#172]: https://github.com/openforcefield/openff-bespokefit/pull/172
[#185]: https://github.com/openforcefield/openff-bespokefit/pull/185
[#188]: https://github.com/openforcefield/openff-bespokefit/pull/188
[#191]: https://github.com/openforcefield/openff-bespokefit/pull/191
[#192]: https://github.com/openforcefield/openff-bespokefit/pull/192
[#193]: https://github.com/openforcefield/openff-bespokefit/pull/193
[#198]: https://github.com/openforcefield/openff-bespokefit/pull/198
[#199]: https://github.com/openforcefield/openff-bespokefit/pull/199
[#212]: https://github.com/openforcefield/openff-bespokefit/pull/212
[#226]: https://github.com/openforcefield/openff-bespokefit/pull/226
[#235]: https://github.com/openforcefield/openff-bespokefit/pull/235
[#239]: https://github.com/openforcefield/openff-bespokefit/pull/239
[#243]: https://github.com/openforcefield/openff-bespokefit/pull/243


[@Yoshanuikabundi]: https://github.com/Yoshanuikabundi
[@mattwthompson]: https://github.com/mattwthompson
[@j-wags]: https://github.com/j-wags
[@jthorton]: https://github.com/jthorton
[@SimonBoothroyd]: https://github.com/SimonBoothroyd
[@xperrylinn]: https://github.com/xperrylinn

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