stfc / janus-core / 8327781713

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Add geomopt to CLI (#70)

* Add initial geomopt CLI

* Save log and trajectory for geomopt

* Add bool and default for writing geometry results

* Add options for cell optimization via CLI

* Update logger for singlepoint

* Fix Any type hints

* Add examples to README

* Fix singlepoint CLI log filemode

* Tidy docs and type hint

* Always allow default filename for consistency

* Always unlink default test files

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Co-authored-by: ElliottKasoar <ElliottKasoar@users.noreply.github.com>

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