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OpenGridCalculation: Add the output_parameters output to the spec
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sphuber committed Oct 22, 2023
1 parent 7a303f9 commit c4fea87
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion src/aiida_quantumespresso/calculations/open_grid.py
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
# -*- coding: utf-8 -*-
"""``CalcJob`` implementation for the ``open_grid.x`` code of Quantum ESPRESSO."""
from aiida.orm import FolderData, KpointsData, RemoteData
from aiida.orm import Dict, FolderData, KpointsData, RemoteData

from aiida_quantumespresso.calculations.namelists import NamelistsCalculation

Expand All @@ -25,6 +25,7 @@ def define(cls, spec):
help='The output folder of a completed `PwCalculation` on an irreducible Brillouin zone')
spec.output('kpoints_mesh', valid_type=KpointsData, help='The dimensions of the unfolded kmesh')
spec.output('kpoints', valid_type=KpointsData, help='The explicit list of kpoints of the unfolded kmesh')
spec.output('output_parameters', valid_type=Dict)

spec.exit_code(300, 'ERROR_NO_RETRIEVED_FOLDER',
message='The retrieved folder data node could not be accessed.')
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