We need to add a documentation page explaining what keys, sample/components/properties and gradient components will be produced by the various rascaline calculators.
I'm not sure if that should be done for each calculator (duplicating some information about e.g. o3_lambda, system, …); or grouped in a single page (making it harder to find this information for a specific calculator).
We need to add a documentation page explaining what keys, sample/components/properties and gradient components will be produced by the various rascaline calculators.
I'm not sure if that should be done for each calculator (duplicating some information about e.g.
o3_lambda,system, …); or grouped in a single page (making it harder to find this information for a specific calculator).