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Implement output trajectory merge in Cp2kBaseWorkChain #209
Implement output trajectory merge in Cp2kBaseWorkChain #209
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OK from my side, I made a small modification to the example. I tested with the bugged aiida-core so just 1 restart.
Next PR has to be the addiiton of the array of energies to the trajectory
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
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tested on aiida 2.4.3
ToDo:
merge_trajectory_data
functionexample_base_md_reftraj_restart.py
so it also checks the trajectory merge.