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Update CLI
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docs/source/CHANGELOG.md

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@@ -13,6 +13,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
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- CLI has subspaces: `run` and `constraintconf`. The syntax `moldrug config.yml` changed to `moldrug run config.yml` and `constraintconf_moldrug ...` to `moldrug constraintconf ...`.
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- `GA` and `Local` now lies on the `opt` module. they can also be imported directly. E.g. `from moldrug import GA`.
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- Use logging instead of print.
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- Move from `.rst` to `.md` on the documentation.
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- Update installation instructions.

docs/source/notebooks/constraint-docking.ipynb

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