@@ -11,29 +11,38 @@ Dates are given in YYYY-MM-DD format.
1111
1212Please note that all releases prior to a version 1.0.0 are considered pre-releases and many API changes will come before a stable release.
1313
14- ## Current development
14+ ## 0.4.1 - 2025-01-22
1515
1616### New features
1717
1818* #1053 Logs, at the level of ` logging.INFO ` , how charges are assigned by SMIRNOFF force fields to each atom and virtual site.
19- * #1080 HMR is supported with OpenMM when virtual sites are present.
19+ * #1080 Adds support for HMR in OpenMM when virtual sites are present.
20+ * #1119 Adds support for writing GROMACS ` .itp ` files.
2021
2122### Bug fixes
2223
2324* #1070 The ` charge_from_molecules ` argument must include only molecules that contain partial charges and are non-isomorphic with each other.
2425* #1070 The ` charge_from_molecules ` argument as used by the OpenFF Toolkit is handled internally as ` molecules_with_preset_charges ` .
2526* #1134 Fixes a bug in which importing OpenMM systems containing only rigid water would crash.
27+ * #1111 Conformers except the first conformer are discarded in packing methods.
2628
2729### Performance improvements
2830
2931* #1097 Migrates version handling to ` versioningit ` , which should result in shorter import times.
3032* #1122 Improves performance of Interchange.from_smirnoff on polymers.
33+ * #1115 Improves processing some non-bonded parameters via caching common operations.
34+ * #1085 Defers some third-party imports for faster import times.
3135
3236### Documentation improvements
3337
3438* #1070 Documents charge assignment hierarchy in the user guide.
3539* #1105 Documents new Pydantic-compatible type annotations in the user guide.
3640
41+ ### Miscellaneous improvements
42+
43+ * #1104 Consolidates configuration files to ` pyproject.toml ` where possible.
44+ * #1089 Adds regression test for JSON serialization after ` Interchange.from_openmm ` .
45+
3746## 0.4.0 - 2024-11-04
3847
3948### Breaking changes and behavior changes
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