Closed SimonBoothroyd closed 12 months ago
I believe this was true with v0.15.
With v0.50, this is also definitely true, although there some magic going on behind the scenes to fetch the records as needed. See type hints for the OptimizationRecord:
Describe what you are trying to achieve
The documentation for
OptimizationRecord.trajectory
states:However looking at the record with
id='1760024'
:the first and last id in
trajectory
do not match theinitial_molecule
andfinal_molecule
fields as expected. Am I right in thinking the docs are wrong here andtrajectory
stores references to result records rather than molecules?Describe methods you have considered