From 549f978bf8deffde0077b426dea6774ba012d654 Mon Sep 17 00:00:00 2001 From: Andrew Rosen Date: Tue, 23 Apr 2024 14:19:09 -0700 Subject: [PATCH] Fix type hints --- src/quacc/recipes/orca/core.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/quacc/recipes/orca/core.py b/src/quacc/recipes/orca/core.py index 60d44489b8..ac573b1dc6 100644 --- a/src/quacc/recipes/orca/core.py +++ b/src/quacc/recipes/orca/core.py @@ -16,7 +16,7 @@ from ase.atoms import Atoms from numpy.typing import NDArray - from quacc.schemas._aliases.cclib import cclibSchema + from quacc.schemas._aliases.cclib import cclibASEOptSchema, cclibSchema from quacc.utils.files import Filenames, SourceDirectory @@ -233,7 +233,7 @@ def ase_relax_job( opt_params: dict[str, Any] | None = None, nprocs: int | Literal["max"] = "max", copy_files: SourceDirectory | dict[SourceDirectory, Filenames] | None = None, -) -> cclibSchema: +) -> cclibASEOptSchema: """ Carry out a geometry optimization. @@ -302,7 +302,7 @@ def ase_quasi_irc_perturb_job( opt_params: dict[str, Any] | None = None, nprocs: int | Literal["max"] = "max", copy_files: SourceDirectory | dict[SourceDirectory, Filenames] | None = None, -) -> cclibSchema: +) -> cclibASEOptSchema: """ Quasi-IRC to optimize a reaction endpoint from a transition-state with known vibrational frequency modes. Perturbs the structure of `atoms` by a finite amount (0.6 * the normalized mode magnitude) along the specified