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kmlefran committed Dec 5, 2023
1 parent 68a542a commit a508870
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2 changes: 1 addition & 1 deletion aiida_aimall/__init__.py
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A plugin to interface AIMAll with AiiDA
"""

__version__ = "0.2.12"
__version__ = "0.2.13"
3 changes: 1 addition & 2 deletions aiida_aimall/calculations.py
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class AimqbCalculation(CalcJob):
"""AiiDA calculation plugin wrapping the aimqb executable.
Template:
.. code-block:: python
Args:
parameters = AimqbParameters(parameter_dict={"naat": 2, "nproc": 2, "atlaprhocps": True})
file=SinglefileData(io.BytesIO(file_string.encode()))
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