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Description
Describe the bug
The metadata field is not populated
To Reproduce
from atomate2.vasp.flows.matpes import MatPesStaticFlowMaker, MatPesMetaGGAStaticMaker, MatPesGGAStaticMaker
from atomate2.vasp.powerups import add_metadata_to_flow
from pymatgen.io.vasp.sets import MatPESStaticSet
from jobflow import run_locally
from pymatgen.core import Structure
from ase.io import read
if __name__ == "__main__":
structure = Structure(
lattice=[[0, 2.13, 2.13], [2.13, 0, 2.13], [2.13, 2.13, 0]],
species=["Mg", "O"],
coords=[[0, 0, 0], [0.5, 0.5, 0.5]],
)
matpes_flow = MatPesStaticFlowMaker().make(structure)
matpes_flow = add_metadata_to_flow(matpes_flow, {"extra_id": 'hello'})
run_locally(matpes_flow, create_folders=True,)
Expected behavior
The GGA and meta-GGA entries in the mongodb have "extra_id": "hello"
in the metadata
field.
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