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fix imports error
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naik-aakash committed Jan 10, 2025
1 parent c8f2f8e commit 2d79c34
Showing 1 changed file with 6 additions and 7 deletions.
13 changes: 6 additions & 7 deletions src/autoplex/auto/phonons/flows.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,6 +19,7 @@
MPStaticSet,
)

from autoplex import MLIP_HYPERS
from autoplex.auto.phonons.jobs import (
complete_benchmark,
dft_phonopy_gen_data,
Expand All @@ -33,10 +34,7 @@
from autoplex.data.phonons.flows import IsoAtomStaticMaker, TightDFTStaticMaker
from autoplex.data.phonons.jobs import reduce_supercell_size_job
from autoplex.fitting.common.flows import MLIPFitMaker
from autoplex.fitting.common.utils import (
MLIP_PHONON_DEFAULTS_FILE_PATH,
load_mlip_hyperparameter_defaults,
)
from autoplex.fitting.common.utils import MLIP_PHONON_DEFAULTS_FILE_PATH

__all__ = [
"CompleteDFTvsMLBenchmarkWorkflow",
Expand Down Expand Up @@ -279,9 +277,10 @@ def make(
fit_input = {}
bm_outputs = []

default_hyperparameters = load_mlip_hyperparameter_defaults(
mlip_fit_parameter_file_path=self.path_to_hyperparameters
)
# default_hyperparameters = load_mlip_hyperparameter_defaults(
# mlip_fit_parameter_file_path=self.path_to_hyperparameters
# )
default_hyperparameters = MLIP_HYPERS.model_dump(by_alias=True)

soap_default_dict = next(
(
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