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disable granular cache in eos
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chiang-yuan committed Jan 11, 2025
1 parent 279ed84 commit 1352b6b
Showing 1 changed file with 1 addition and 8 deletions.
9 changes: 1 addition & 8 deletions mlip_arena/tasks/eos.py
Original file line number Diff line number Diff line change
Expand Up @@ -54,8 +54,6 @@ def run(
max_abs_strain: float = 0.1,
npoints: int = 11,
concurrent: bool = True,
persist_opt: bool = True,
cache_opt: bool = True,
) -> dict[str, Any] | State:
"""
Compute the equation of state (EOS) for the given atoms and calculator.
Expand All @@ -80,12 +78,7 @@ def run(
A dictionary containing the EOS data, bulk modulus, equilibrium volume, and equilibrium energy if successful. Otherwise, a prefect state object.
"""

OPT_ = OPT.with_options(
refresh_cache=not cache_opt,
persist_result=persist_opt,
)

state = OPT_(
state = OPT(
atoms=atoms,
calculator_name=calculator_name,
calculator_kwargs=calculator_kwargs,
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