-
Notifications
You must be signed in to change notification settings - Fork 61
Open
Description
TODO: check that all existing CVCs have their gradients tested by standalone functional tests (using debugGradients) or otherwise.
For vector CVCs or ones with implicit gradients, a test based on VMD scripts could be used (WIP).
Update: tentative list of CVCs that do not currently have a functional test (they are covered by regression tests).
- polar_theta
- polar_phi
- distance_xy
- aspath
- azpath
- gspath
- gzpath
- aspathCV
- azpathCV
- gspathCV
- gzpathCV
- linearCombination
Vector CVCs that will need a different testing mechanism:
- cartesian
- orientation
- distance_vec
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels