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stfc / janus-core / 8327781713 / 3
92%
main: 92%

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DEFAULT BRANCH: main
Ran 18 Mar 2024 01:58PM UTC
Files 7
Run time 0s
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18 Mar 2024 01:53PM UTC coverage: 92.014% (+0.4%) from 91.566%
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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>

265 of 288 relevant lines covered (92.01%)

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