Summary
Some students at the ICTP school filled the forces key of the options file with the wrong value. metatrain didn't complain and just trained on the energy, resulting in a bad training. Maybe we should add some check that the key exists in the XYZ file (I'll have a look when I get back)
Expected behavior
options.yaml:
...
forces:
key: something_wrong
Result: error, something_wrong is not in the XYZ file.
Actual behavior
Train discarding forces.
Version
2026.2
Steps to reproduce
No response
Further information, files, and links
No response
Summary
Some students at the ICTP school filled the forces key of the options file with the wrong value.
metatraindidn't complain and just trained on the energy, resulting in a bad training. Maybe we should add some check that the key exists in the XYZ file (I'll have a look when I get back)Expected behavior
options.yaml:
Result: error,
something_wrongis not in the XYZ file.Actual behavior
Train discarding forces.
Version
2026.2
Steps to reproduce
No response
Further information, files, and links
No response