stfc / janus-core

Tools for machine learnt interatomic potentials
https://stfc.github.io/janus-core/
BSD 3-Clause "New" or "Revised" License
10 stars 7 forks source link

Set consistent log and summary file names #280

Closed ElliottKasoar closed 2 weeks ago

ElliottKasoar commented 1 month ago

Resolves #132

As mentioned in the issue, sharing the summary is relatively straightforward, but extra changes were needed to use the FileNameMixin to set the log filename to be consistent with other output files.

Since the default filename moves into the Python, I added an additional flag that controls the logging, so a filename isn't required.

Loosely depends on fixing #279, for correct documentation, and tests will then require updating following a fix.

ElliottKasoar commented 4 weeks ago

I suggest #283 is reviewed before this, as it also address the logging suggestion, and this will need various conflicts resolving.

alinelena commented 2 weeks ago

if keeps logic simple I am fine with keeping md