From 26350ac3b4e4454cad43d6d5cc6185e417f0f21f Mon Sep 17 00:00:00 2001 From: esoteric-ephemera Date: Mon, 24 Jun 2024 15:29:20 -0700 Subject: [PATCH] linting --- emmet-core/emmet/core/tasks.py | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/emmet-core/emmet/core/tasks.py b/emmet-core/emmet/core/tasks.py index c9b62fd23f..7cf74af68b 100644 --- a/emmet-core/emmet/core/tasks.py +++ b/emmet-core/emmet/core/tasks.py @@ -62,7 +62,6 @@ class Potcar(BaseModel): class OrigInputs(CalculationInput): - poscar: Optional[Poscar] = Field( None, description="Pymatgen object representing the POSCAR file.", @@ -175,7 +174,7 @@ def from_vasp_calc_doc( class InputDoc(CalculationInput): """Light wrapper around `CalculationInput` with a few extra fields. - + pseudo_potentials (Potcar) : summary of the POTCARs used in the calculation xc_override (str) : the exchange-correlation functional used if not the one specified by POTCAR @@ -186,7 +185,7 @@ class InputDoc(CalculationInput): pseudo_potentials: Optional[Potcar] = Field( None, description="Summary of the pseudo-potentials used in this calculation" ) - + xc_override: Optional[str] = Field( None, description="Exchange-correlation functional used if not the default" ) @@ -448,7 +447,7 @@ def model_post_init(self, __context: Any) -> None: # Always refresh task_type, calc_type, run_type # See, e.g. https://github.com/materialsproject/emmet/issues/960 # where run_type's were set incorrectly in older versions of TaskDoc - + # To determine task and run type, we search for input sets in this order # of precedence: calcs_reversed, inputs, orig_inputs for inp_set in [self.calcs_reversed[0].input, self.input, self.orig_inputs]: