v0.2 changelog

docs/changelog.md

@@ -1,35 +1,60 @@
 # Changelog
 
 <!--
-vX.Y.0 / 2024-MM-DD (Unreleased)
---------------------
+## vX.Y.0 / 2024-MM-DD (Unreleased)
 
-Breaking Changes
-++++++++++++++++
+#### Breaking Changes
 
-New Features
-++++++++++++
+#### New Features
 
-Enhancements
-++++++++++++
+#### Enhancements
 
-Bug Fixes
-+++++++++
+#### Bug Fixes
 
-Misc.
-+++++
+#### Misc.
 
-MUST (Unmerged)
-+++++++++++++++
+#### MUST (Unmerged)
 
-WIP (Unmerged)
-++++++++++++++
+#### WIP (Unmerged)
 -->
 
 
-### v0.1.0 / 2024-04-24
+## v0.2.0 / 2024-05-13
 
-##### New Features
+#### New Features
+
+* [\#25](https://github.com/MolSSI/QCManyBody/pull/25) Schema -- added a new field `ManyBodyResults.component_results`
+  to store subsystem `AtomicResult`s (or other Result if layered computation). By default this is not stored, but it can
+  be with `ManyBodyInput.protocols.component_results = "all"`. @loriab
+* [\#25](https://github.com/MolSSI/QCManyBody/pull/25) Schema -- added `GeneralizedOptimizationInput` and
+  `GeneralizedOptimizationResult` models as temporary extensions of `OptimizationInput/Result` when the optimizer can
+  run `ManyBodyInput`s through QCEngine, not just `AtomicInput`s. Needs special QCElemental, QCEngine, and OptKing to
+  work for now. @loriab
+
+#### Enhancements
+
+* [\#22](https://github.com/MolSSI/QCManyBody/pull/22) Intf -- move high-level interface to main directory and remove
+  unused functions. Most common route into interface is now: `qcmb.ManyBodyComputerQCNG.from_manybodyinput`. @loriab
+* [\#25](https://github.com/MolSSI/QCManyBody/pull/25) Schema -- `AtomicSpecification.protocols` set in
+  `ManyBodySpecification.specification` will now be observed. @loriab
+* [\#26](https://github.com/MolSSI/QCManyBody/pull/26) Schema -- add `AtomicSpecification.extras`. @loriab
+
+#### Bug Fixes
+
+* [\#25](https://github.com/MolSSI/QCManyBody/pull/25) Schema -- `ManyBodyKeywords.embedding_charges` now default to None
+  rather than empty dict. @loriab
+
+#### Misc.
+
+* [\#21](https://github.com/MolSSI/QCManyBody/pull/21) Docs -- installation and molecule. @bennybp
+* [\#24](https://github.com/MolSSI/QCManyBody/pull/24) Intf -- release "frozen" pydantic on high-level
+  ManyBodyComputerQCNG, so core-interface ManyBodyCalculator can live on the class. @loriab
+* [\#26](https://github.com/MolSSI/QCManyBody/pull/26) Cleanup -- remove most debug printing. @loriab
+
+
+## v0.1.0 / 2024-04-24
+
+#### New Features
 
 * Runs CP, NoCP, VMFC energies, gradients, and Hessians. @bennybp @loriab