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AiiDA plugin for RASPA code

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AiiDA plugin for RASPA2.

Designed to work with with RASPA 2.0.37 or later.


The documentation for this package can be found on Read the Docs.


If you use pip, you can install it as:

pip install aiida-raspa

If you want to install the plugin in an editable mode, run:

git clone
cd aiida-raspa
pip install -e .  # Also installs aiida, if missing (but not postgres/rabbitmq).

In case the plugin does not appear in the output of verdi plugin list aiida.calculations, run reentry scan and try again.


See examples folder for complete examples of setting up a calculation or a work chain.

Simple calculation

cd examples/simple_calculations
verdi run <code_label> --submit          # Submit example calculation.
verdi process list -a -p1                                # Check status of calculation.

Work chain

cd examples/workchains
verdi run  <code_label>  # Submit test calculation.
verdi process list -a -p1                                # Check status of the work chain.





This work is supported by:

MARVEL MaX swissuniversities

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