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Merge pull request #67 from openforcefield/2.1.0
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Add 2.1.0 and update readme
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@j-wags
j-wags authored May 3, 2023
2 parents 18cfdc3 + e646240 commit e3f40ae
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12 changes: 10 additions & 2 deletions README.md
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Expand Up @@ -26,15 +26,17 @@ Details for each force field in this repository can be found in the following ta

| Filename | DOI | FF line | Release Date | Major format changes? |
|---------------------------------------------|-----------------------------------------------------------------------------------------------------------|---------|---------------|-----------------------|
| `opc-1.0.0.offxml` | see `docs/water-models.md` | Ports | May 1, 2023 | No |
| `openff-2.1.0.offxml` | | Sage | May 2, 2023 | No |
| `openff_unconstrained-2.1.0.offxml` | | Sage | May 2, 2023 | No |
| `opc-1.0.0.offxml` | see `docs/water-models.md` | Ports | May 1, 2023 | No |
| `openff-2.1.0-rc.1.offxml` | | Sage | Apr 10, 2023 | No |
| `openff_unconstrained-2.1.0-rc.1.offxml` | | Sage | Apr 10, 2023 | No |
| `tip3p_fb-1.0.0.offxml` | see `docs/water-models.md` | Ports | Feb 27, 2023 | No |
| `tip3p-1.0.0.offxml` | see `docs/water-models.md` | Ports | Feb 27, 2023 | No |
| `openff-2.0.0.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5214478.svg)](https://doi.org/10.5281/zenodo.5214478) | Sage | Aug 16, 2021 | No |
| `openff_unconstrained-2.0.0.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5214478.svg)](https://doi.org/10.5281/zenodo.5214478) | Sage | Aug 16, 2021 | No |
| `openff-2.0.0-rc.2.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5156698.svg)](https://doi.org/10.5281/zenodo.5156698) | Sage | Aug 3, 2021 | No |
| `openff_unconstrained-2.0.0-rc.2.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5156698.svg)](https://doi.org/10.5281/zenodo.5156698) | Sage | Aug 3, 2021 | No |
| `openff_unconstrained-2.0.0-rc.2.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5156698.svg)](https://doi.org/10.5281/zenodo.5156698) | Sage | Aug 3, 2021 | No |
| `openff-2.0.0-rc.1.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5009196.svg)](https://doi.org/10.5281/zenodo.5009196) | Sage | June 21, 2021 | No |
| `openff_unconstrained-2.0.0-rc.1.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5009196.svg)](https://doi.org/10.5281/zenodo.5009196) | Sage | June 21, 2021 | No |
| `openff-1.3.1.offxml` | [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5009058.svg)](https://doi.org/10.5281/zenodo.5009058) | Parsley | June 21, 2021 | No |
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- `2023.02.1`: This release switches to a calendar-versioning system and adds `tip3p-1.0.0.offxml` and `tip3p-fb-1.0.0.offxml`, as well as `tip3p.offxml` and `tip3p-fb.offxml`, which will always point to the latest files in their respective lines.

- `2023.04.1`: This release adds `openff-2.1.0-rc.1.offxml` Sage 2.1.0 Release Candidate 1, with several small parameter fixes and improvements.

- `2023.05.0`: This release adds the `opc-1.0.0.offxml`, our initial port of the OPC water model.

- `2023.05.1`: This release adds `openff-2.1.0.offxml`, Sage 2.1.0, with identical physics parameters to `openff-2.1.0-rc.1.offxml`.

#### Acknowledgements

Project based on the
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