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Fix typo #1283

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Dec 3, 2023
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2 changes: 1 addition & 1 deletion docs/user/wflow_engine/wflow_engines2.md
Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,7 @@ graph LR

!!! Note

Parsl `PythonApp` objects will implicitly know to call `.result()` on any `AppFuture` it receives, and it is good to rely on this fact to avoid unecessary blocking.
Parsl `PythonApp` objects will implicitly know to call `.result()` on any `AppFuture` it receives, and it is good to rely on this fact to avoid unnecessary blocking.

=== "Covalent"

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2 changes: 1 addition & 1 deletion src/quacc/atoms/slabs.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@
from pymatgen.core import Structure

class AdsSiteFinderKwargs(TypedDict, total=False):
selective_dynamics: bool # defualt = False
selective_dynamics: bool # default = False
height: float # default = 0.9
mi_vec: ArrayLike | None # default = None

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2 changes: 1 addition & 1 deletion src/quacc/calculators/vasp/vasp.py
Original file line number Diff line number Diff line change
Expand Up @@ -71,7 +71,7 @@ def __init__(
Options include:
off: Do not use co-pilot mode. INCAR parameters will be unmodified.
on: Use co-pilot mode. This will only modify INCAR flags not already set by the user.
aggressive: Use co-pilot mode in agressive mode. This will modify INCAR flags even if they are already set by the user.
aggressive: Use co-pilot mode in aggressive mode. This will modify INCAR flags even if they are already set by the user.
copy_magmoms
If True, any pre-existing `atoms.get_magnetic_moments()` will be set in
`atoms.set_initial_magnetic_moments()`. Set this to False if you want to
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3 changes: 2 additions & 1 deletion src/quacc/recipes/common/defects.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,8 @@
from typing import Callable

from ase.atoms import Atoms
from qucac import Job

from quacc import Job


@subflow
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2 changes: 1 addition & 1 deletion src/quacc/recipes/common/phonons.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,8 +19,8 @@

from ase.atoms import Atoms
from numpy.typing import ArrayLike
from qucac import Job

from quacc import Job
from quacc.schemas._aliases.phonons import PhononSchema


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6 changes: 3 additions & 3 deletions src/quacc/recipes/qchem/core.py
Original file line number Diff line number Diff line change
Expand Up @@ -58,7 +58,7 @@ def static_job(
Algorithm used to converge the SCF. Defaults to "diis", but for
particularly difficult cases, "gdm" should be employed instead.
pcm_dielectric
Dielectric constant of the optional polarizable continuum impicit
Dielectric constant of the optional polarizable continuum implicit
solvation model. Defaults to None, in which case PCM will not be
employed.
smd_solvent
Expand Down Expand Up @@ -141,7 +141,7 @@ def freq_job(
Algorithm used to converge the SCF. Defaults to "diis", but for
particularly difficult cases, "gdm" should be employed instead.
pcm_dielectric
Dielectric constant of the optional polarizable continuum impicit
Dielectric constant of the optional polarizable continuum implicit
solvation model. Defaults to None, in which case PCM will not be
employed.
smd_solvent
Expand Down Expand Up @@ -225,7 +225,7 @@ def relax_job(
Algorithm used to converge the SCF. Defaults to "diis", but for
particularly difficult cases, "gdm" should be employed instead.
pcm_dielectric
Dielectric constant of the optional polarizable continuum impicit
Dielectric constant of the optional polarizable continuum implicit
solvation model. Defaults to None, in which case PCM will not be
employed.
smd_solvent
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4 changes: 2 additions & 2 deletions src/quacc/recipes/qchem/ts.py
Original file line number Diff line number Diff line change
Expand Up @@ -62,7 +62,7 @@ def ts_job(
Algorithm used to converge the SCF. Defaults to "diis", but for
particularly difficult cases, "gdm" should be employed instead.
pcm_dielectric
Dielectric constant of the optional polarizable continuum impicit
Dielectric constant of the optional polarizable continuum implicit
solvation model. Defaults to None, in which case PCM will not be
employed.
smd_solvent
Expand Down Expand Up @@ -163,7 +163,7 @@ def irc_job(
Algorithm used to converge the SCF. Defaults to "diis", but for
particularly difficult cases, "gdm" should be employed instead.
pcm_dielectric
Dielectric constant of the optional polarizable continuum impicit
Dielectric constant of the optional polarizable continuum implicit
solvation model. Defaults to None, in which case PCM will not be
employed.
smd_solvent
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2 changes: 1 addition & 1 deletion src/quacc/recipes/vasp/mp.py
Original file line number Diff line number Diff line change
Expand Up @@ -177,7 +177,7 @@ def _get_bandgap_swaps(bandgap: float | None = None) -> dict[str, float]:
"""
Get bandgap-related swaps.
Paramters
Parameters
---------
bandgap
The bandgap, in units of eV.
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2 changes: 1 addition & 1 deletion src/quacc/settings.py
Original file line number Diff line number Diff line change
Expand Up @@ -167,7 +167,7 @@ class QuaccSettings(BaseSettings):
"Controls VASP co-pilot mode for automated INCAR parameter handling."
"off: Do not use co-pilot mode. INCAR parameters will be unmodified."
"on: Use co-pilot mode. This will only modify INCAR flags not already set by the user."
"aggressive: Use co-pilot mode in agressive mode. This will modify INCAR flags even if they are already set by the user."
"aggressive: Use co-pilot mode in aggressive mode. This will modify INCAR flags even if they are already set by the user."
),
)
VASP_BADER: bool = Field(
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