Saving files with empty values (like forces or stress) may cause issues when preparing new ensembles. So simply avoid saving these files, and set them to None if they are not found when loading the ensemble.
Before starting a minimization, it must be checked if the ensemble is ready to be used, and raise an appropriate and comprehensible error otherwise.
Saving files with empty values (like forces or stress) may cause issues when preparing new ensembles. So simply avoid saving these files, and set them to None if they are not found when loading the ensemble. Before starting a minimization, it must be checked if the ensemble is ready to be used, and raise an appropriate and comprehensible error otherwise.
This issue is strictly related to #22