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Revise CHANGELOG for constraints and breaking changes #392

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5 changes: 4 additions & 1 deletion CHANGELOG.md
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Expand Up @@ -8,8 +8,11 @@
- Added `FixAtoms` constraint to fix specific atoms in place
- Added `FixCom` constraint to prevent center of mass drift
- Constraints automatically adjust degrees of freedom for accurate temperature calculations
- Full support across all integrators (NVE, NVT, NPT) and optimizers (FIRE, Gradient Descent)
- Support for NVE and NVT and optimizers (FIRE, Gradient Descent). Constraints on NPT should be used with caution.
- Constraints preserved during state manipulation (slicing, splitting, concatenation)

### 💥 Breaking Changes
* Trajectories are not wrapped anymore. MLIP models still wrapped coordinates before force evaluation but SimState.positions are not wrapped during MD.

## v0.5.0

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