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Right now, we have a nan checker implemented in the geometry class, which raises a ValueError if a nan is found and is called in the following geometry methods:
These methods are invoked during network operations which occur both in training and in simulating. In simulating, we may not want a straight out ValueError - we likely want the option to get some information so we can debug what's going on.
The text was updated successfully, but these errors were encountered:
Right now, we have a nan checker implemented in the geometry class, which raises a
ValueError
if a nan is found and is called in the following geometry methods:get_distances
get_angles
get_dihedrals
These methods are invoked during network operations which occur both in training and in simulating. In simulating, we may not want a straight out
ValueError
- we likely want the option to get some information so we can debug what's going on.The text was updated successfully, but these errors were encountered: