Closes #127
--fine_tune key added as an input for the train Calcjob
The input validation checks that a model is given either in the config file or as an input.
in the config file, it can be anything (a string referring to some model types like "small" or a path to a model file)
If it is given as a ModelData input, it has to be a file.
This is in general a main difference between janus and aiida-mlip that I don't know if we want to keep like this or change (the problem being that ModelData is built to be a file, so if we want it to also be a string, I can either completely modify it or just allow an additional input that is an alternative to the ModelData and it is just a string)
[x] check that there aren't other checks to do
[x] more tests could be added where I actually run the calculation; I just wasn't sure because of the mace development thing
Closes #127 --fine_tune key added as an input for the train
Calcjob
The input validation checks that a model is given either in the config file or as an input. in the config file, it can be anything (a string referring to some model types like "small" or a path to a model file) If it is given as aModelData
input, it has to be a file. This is in general a main difference between janus and aiida-mlip that I don't know if we want to keep like this or change (the problem being thatModelData
is built to be a file, so if we want it to also be a string, I can either completely modify it or just allow an additional input that is an alternative to theModelData
and it is just a string)