Potentials with no Config and no Filename - should they be supported

[samwaseda]

I see that there are some potentials (around of 20) which have no Config and no Filename, mostly from OPENKIM. Here's one example: EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000. The new potential class fails to parse them, but I don't really understand what these potentials are supposed to do. Should they somehow be supported, or can I simply ignore these ones?

[jan-janssen]

The potential exists in OpenKIM https://openkim.org/id/EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 so I guess we want to support it. Still it is possible that my initial parser was not able to create the corresponding entry for the config file. Maybe you can fix this and add the config. In addition can you collect the list of potentials which fail?

[jan-janssen]

The script to generate the potential file is available in https://github.com/conda-forge/iprpy-data-feedstock/blob/main/recipe/generate_csv.py

[samwaseda]

The script to generate the potential file is available in https://github.com/conda-forge/iprpy-data-feedstock/blob/main/recipe/generate_csv.py

hm that was not what I intended to do, but ok I'm gonna take a look at it