stfc / janus-core / 13923058282

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github

Add default output directory (#462)

* Set default output directory

* Test output directory

* Rename output directory

* Update tests

* Update Mixin tests

* Update training and preprocess files

* Fix phonons test

* Update janus_core/helpers/utils.py

Co-authored-by: Jacob Wilkins <46597752+oerc0122@users.noreply.github.com>

* Update file_prefix docstrings and help

* Add file prefix to descriptors

* Add missing file prefix tests

* Update docs

* Build directory before writing

* Clean up output directories in tests

* Fix misplaced trajectory file

* Fix misplaced NEB file

* Fix building phonons files

* Remove unneeded checks and file deletion

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Co-authored-by: Jacob Wilkins <46597752+oerc0122@users.noreply.github.com>

41 of 42 new or added lines in 10 files covered. (97.62%)

2650 of 2860 relevant lines covered (92.66%)

2.78 hits per line