Repository navigation
error tables not very consistent #1033
Description
at the moment at the end for train/fine tuning mace presents two error tables.
2025-06-24 04:50:56.195 INFO: Error-table on TRAIN and VALID:
+--------------+---------------------+------------------+-------------------+---------------------------------------+
| config_type | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % | RMSE Stress (Virials) / meV / A (A^3) |
+--------------+---------------------+------------------+-------------------+---------------------------------------+and
2025-06-24 04:51:10.505 INFO: Error-table on TEST:
+----------------------+---------------------+------------------+-------------------+---------------------------------------+
| config_type | RMSE E / meV / atom | RMSE F / meV / A | relative F RMSE % | RMSE Stress (Virials) / meV / A (A^3) |
+----------------------+---------------------+------------------+-------------------+---------------------------------------+for valid and train presents an overall performance while for test a split one per config_type. would be more consistent in my opinion to have both information for all three tables.
Activity