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Backport structuredata import.
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yakutovicha committed Aug 28, 2023
1 parent 9bf2574 commit fe578cc
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/single_calculations/example_sirius.py
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import click
from aiida import common, engine, orm, plugins

StructureData = plugins.DataFactory("core.structure")
StructureData = plugins.DataFactory("structure")


def example_sirius(cp2k_code):
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builder.structure = structure
builder.parameters = parameters
builder.code = cp2k_code
pseudo_family = orm.load_group("SSSP/1.3/PBE/efficiency")
pseudo_family = orm.load_group("SSSP/1.2/PBE/efficiency")
builder.pseudos_upf = pseudo_family.get_pseudos(structure=structure)
builder.metadata.options.resources = {
"num_machines": 1,
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