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Merge pull request #1148 from openforcefield/0-4-1-release-notes
Finalize 0.4.1 release notes
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docs/releasehistory.md

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@@ -11,29 +11,38 @@ Dates are given in YYYY-MM-DD format.
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Please 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.
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## Current development
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## 0.4.1 - 2025-01-22
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### New features
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* #1053 Logs, at the level of `logging.INFO`, how charges are assigned by SMIRNOFF force fields to each atom and virtual site.
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* #1080 HMR is supported with OpenMM when virtual sites are present.
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* #1080 Adds support for HMR in OpenMM when virtual sites are present.
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* #1119 Adds support for writing GROMACS `.itp` files.
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### Bug fixes
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* #1070 The `charge_from_molecules` argument must include only molecules that contain partial charges and are non-isomorphic with each other.
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* #1070 The `charge_from_molecules` argument as used by the OpenFF Toolkit is handled internally as `molecules_with_preset_charges`.
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* #1134 Fixes a bug in which importing OpenMM systems containing only rigid water would crash.
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* #1111 Conformers except the first conformer are discarded in packing methods.
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### Performance improvements
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* #1097 Migrates version handling to `versioningit`, which should result in shorter import times.
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* #1122 Improves performance of Interchange.from_smirnoff on polymers.
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* #1115 Improves processing some non-bonded parameters via caching common operations.
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* #1085 Defers some third-party imports for faster import times.
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### Documentation improvements
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* #1070 Documents charge assignment hierarchy in the user guide.
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* #1105 Documents new Pydantic-compatible type annotations in the user guide.
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### Miscellaneous improvements
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* #1104 Consolidates configuration files to `pyproject.toml` where possible.
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* #1089 Adds regression test for JSON serialization after `Interchange.from_openmm`.
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## 0.4.0 - 2024-11-04
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### Breaking changes and behavior changes

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