Sage 2.2.0 rc1 (#102)

* added sage 2.2.0 and modified readme with description * adding authors * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Update .zenodo.json Co-authored-by: Jeff Wagner <[email protected]> * Update openff-2.2.0-rc1.offxml date * Update openff_unconstrained-2.2.0-rc1.offxml date * Update README.md Co-authored-by: Matt Thompson <[email protected]> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Jeff Wagner <[email protected]> Co-authored-by: Matt Thompson <[email protected]>
openforcefield · Mar 7, 2024 · 1b6af6b · 1b6af6b
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diff --git a/.zenodo.json b/.zenodo.json
@@ -5,6 +5,11 @@
         "affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis,  CA, USA",
         "name": "McIsaac, Alexandra"
       },
+      {
+        "orcid": "0000-0002-6878-0192",
+        "affiliation": "Open Force Field Consortium, Open Molecular Software Foundation, Davis,  CA, USA",
+        "name": "Westbrook, Brent"
+      },
       {
         "orcid": "0000-0001-6583-2148",
         "affiliation": "Pharmaceutical Sciences, University of California Irvine, Irvine, CA, USA",

diff --git a/README.md b/README.md
@@ -165,6 +165,8 @@ Force fields moving forward will be called `name-X.Y.Z`
 
 - `2024.01.0`: This release adds `openff-2.1.1.offxml` and `openff_unconstrained-2.1.1.offxml`, Sage 2.1.1, which has identical parameters to Sage 2.1.0 (originally released in version `2023.05.1` of the `openff-forcefields` package) but adds Xe van der Waals parameters from [Tang, K.T., Toennies, J.P. New combining rules for well parameters and shapes of the van der Waals potential of mixed rare gas systems. Z Phys D - Atoms, Molecules and Clusters 1, 91–101 (1986).](https://doi.org/10.1007/BF01384663)
 
+- `2024.03.0`: This release adds `openff-2.2.0-rc1.offxml` and `openff_unconstrained-2.2.0-rc1.offxml`, Sage 2.2.0 Release Candidate 1, which modifies some small ring internal angles and remedies issues with sulfamide geometries.
+
 #### Acknowledgements
 
 Project based on the