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Fix type hints (#1179)
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Andrew-S-Rosen committed Nov 9, 2023
1 parent 761f0bd commit 734846c
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Showing 18 changed files with 19 additions and 19 deletions.
2 changes: 1 addition & 1 deletion src/quacc/recipes/common/slabs.py
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from ase import Atoms

from quacc.schemas.ase import OptSchema, RunSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema


def common_bulk_to_slabs_flow(
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2 changes: 1 addition & 1 deletion src/quacc/recipes/dftb/core.py
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Expand Up @@ -16,7 +16,7 @@

from ase import Atoms

from quacc.schemas.ase import RunSchema
from quacc.schemas._aliases.ase import RunSchema

LOG_FILE = "dftb.out"
GEOM_FILE = "geo_end.gen"
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2 changes: 1 addition & 1 deletion src/quacc/recipes/emt/core.py
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Expand Up @@ -20,7 +20,7 @@

from ase import Atoms

from quacc.schemas.ase import OptSchema, RunSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema


@job
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2 changes: 1 addition & 1 deletion src/quacc/recipes/emt/defects.py
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Expand Up @@ -21,7 +21,7 @@
VoronoiInterstitialGenerator,
)

from quacc.schemas.ase import OptSchema, RunSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema


@flow
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2 changes: 1 addition & 1 deletion src/quacc/recipes/emt/slabs.py
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Expand Up @@ -12,7 +12,7 @@

from ase import Atoms

from quacc.schemas.ase import OptSchema, RunSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema


@flow
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2 changes: 1 addition & 1 deletion src/quacc/recipes/gaussian/core.py
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Expand Up @@ -16,7 +16,7 @@

from ase import Atoms

from quacc.schemas.cclib import cclibSchema
from quacc.schemas._aliases.cclib import cclibSchema

_LABEL = "Gaussian"
LOG_FILE = f"{_LABEL}.log"
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2 changes: 1 addition & 1 deletion src/quacc/recipes/gulp/core.py
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Expand Up @@ -17,7 +17,7 @@

from ase import Atoms

from quacc.schemas.ase import RunSchema
from quacc.schemas._aliases.ase import RunSchema

logger = logging.getLogger(__name__)

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2 changes: 1 addition & 1 deletion src/quacc/recipes/lj/core.py
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Expand Up @@ -22,7 +22,7 @@
from ase import Atoms

from quacc.runners.ase import VibKwargs
from quacc.schemas.ase import OptSchema, RunSchema, VibThermoSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema, VibThermoSchema


@job
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2 changes: 1 addition & 1 deletion src/quacc/recipes/newtonnet/core.py
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Expand Up @@ -33,7 +33,7 @@

from ase import Atoms

from quacc.schemas.ase import OptSchema, RunSchema, ThermoSchema, VibSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema, ThermoSchema, VibSchema

class FreqSchema(RunSchema):
vib: VibSchema
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2 changes: 1 addition & 1 deletion src/quacc/recipes/newtonnet/ts.py
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Expand Up @@ -28,7 +28,7 @@
from numpy.typing import NDArray

from quacc.recipes.newtonnet.core import FreqSchema
from quacc.schemas.ase import OptSchema
from quacc.schemas._aliases.ase import OptSchema

class TSSchema(OptSchema):
freq_job: FreqSchema | None
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2 changes: 1 addition & 1 deletion src/quacc/recipes/orca/core.py
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Expand Up @@ -17,7 +17,7 @@

from ase import Atoms

from quacc.schemas.cclib import cclibSchema
from quacc.schemas._aliases.cclib import cclibSchema

_LABEL = OrcaTemplate()._label # skipcq: PYL-W0212
LOG_FILE = f"{_LABEL}.out"
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2 changes: 1 addition & 1 deletion src/quacc/recipes/psi4/core.py
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Expand Up @@ -21,7 +21,7 @@

from ase import Atoms

from quacc.schemas.ase import RunSchema
from quacc.schemas._aliases.ase import RunSchema


@job
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2 changes: 1 addition & 1 deletion src/quacc/recipes/qchem/core.py
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Expand Up @@ -24,7 +24,7 @@

from ase import Atoms

from quacc.schemas.ase import OptSchema, RunSchema
from quacc.schemas._aliases.ase import OptSchema, RunSchema


@job
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2 changes: 1 addition & 1 deletion src/quacc/recipes/qchem/ts.py
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Expand Up @@ -22,7 +22,7 @@

from ase import Atoms

from quacc.schemas.ase import OptSchema
from quacc.schemas._aliases.ase import OptSchema


@job
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2 changes: 1 addition & 1 deletion src/quacc/recipes/vasp/core.py
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Expand Up @@ -14,7 +14,7 @@

from ase import Atoms

from quacc.schemas.vasp import VaspSchema
from quacc.schemas._aliases.vasp import VaspSchema

class DoubleRelaxSchema(VaspSchema):
relax1: VaspSchema
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2 changes: 1 addition & 1 deletion src/quacc/recipes/vasp/mp.py
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Expand Up @@ -27,7 +27,7 @@

from ase import Atoms

from quacc.schemas.vasp import VaspSchema
from quacc.schemas._aliases.vasp import VaspSchema

class MPRelaxFlowSchema(VaspSchema):
prerelax: VaspSchema
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4 changes: 2 additions & 2 deletions src/quacc/recipes/vasp/qmof.py
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Expand Up @@ -20,8 +20,8 @@
if TYPE_CHECKING:
from ase import Atoms

from quacc.schemas.ase import OptSchema
from quacc.schemas.vasp import VaspSchema
from quacc.schemas._aliases.ase import OptSchema
from quacc.schemas._aliases.vasp import VaspSchema

class QMOFRelaxSchema(VaspSchema):
prerelax_lowacc: VaspSchema | None
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2 changes: 1 addition & 1 deletion src/quacc/recipes/vasp/slabs.py
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Expand Up @@ -13,7 +13,7 @@

from ase import Atoms

from quacc.schemas.vasp import VaspSchema
from quacc.schemas._aliases.vasp import VaspSchema


@job
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