Implement output trajectory merge in Cp2kBaseWorkChain#209

Merged

yakutovicha merged 16 commits intomainfrom base-restart-workchain/merge-output-trajectories

Mar 13, 2024

+373-33

Commits on Mar 6, 2024

Commits on Mar 7, 2024

Add a unit test for the merge_trajectory_data function.
yakutovicha
committed
Split merge_trajectory_data to merge_trajectory_data_unique and merge_trajectory_data_non_unique
yakutovicha
committed
Test against AiiDA 2.3.1 which adds support for the variadic arguments.
yakutovicha
committed

Commits on Mar 8, 2024

small modification in the reftraj example to facilitate check of trajectories
cpignedoli
committed

Commits on Mar 13, 2024