Move get_factor to common.schemas.phonons

Remove the circular depedency

src/atomate2/common/jobs/phonons.py

@@ -8,7 +8,6 @@
 
 from jobflow import Flow, Response, job
 from phonopy import Phonopy
-from phonopy.units import VaspToTHz
 from pymatgen.core import Structure
 from pymatgen.io.phonopy import get_phonopy_structure, get_pmg_structure
 from pymatgen.phonon.bandstructure import PhononBandStructureSymmLine
@@ -17,8 +16,7 @@
     CubicSupercellTransformation,
 )
 
-from atomate2.aims.utils.units import omega_to_THz
-from atomate2.common.schemas.phonons import ForceConstants, PhononBSDOSDoc
+from atomate2.common.schemas.phonons import ForceConstants, PhononBSDOSDoc, get_factor
 
 if TYPE_CHECKING:
     from pathlib import Path
@@ -34,32 +32,6 @@
 logger = logging.getLogger(__name__)
 
 
-def get_factor(code: str):
-    """
-    Get the frequency conversion factor to THz for each code.
-
-    Parameters
-    ----------
-    code: str
-        The code to get the conversion factor for
-
-    Returns
-    -------
-    float
-        The correct conversion factor
-
-    Raises
-    ------
-    ValueError
-        If code is not defined
-    """
-    if code in ["forcefields", "vasp"]:
-        return VaspToTHz
-    if code == "aims":
-        return omega_to_THz  # Based on CODATA 2002
-    raise ValueError(f"Frequency conversion factor for code ({code}) not defined.")
-
-
 @job
 def get_total_energy_per_cell(
     total_dft_energy_per_formula_unit: float, structure: Structure

src/atomate2/common/schemas/phonons.py

@@ -11,6 +11,7 @@
 from phonopy import Phonopy
 from phonopy.phonon.band_structure import get_band_qpoints_and_path_connections
 from phonopy.structure.symmetry import symmetrize_borns_and_epsilon
+from phonopy.units import VaspToTHz
 from pydantic import BaseModel, Field
 from pymatgen.core import Structure
 from pymatgen.io.phonopy import (
@@ -26,11 +27,37 @@
 from pymatgen.symmetry.bandstructure import HighSymmKpath
 from pymatgen.symmetry.kpath import KPathSeek
 
-from atomate2.common.jobs.phonons import get_factor
+from atomate2.aims.utils.units import omega_to_THz
 
 logger = logging.getLogger(__name__)
 
 
+def get_factor(code: str):
+    """
+    Get the frequency conversion factor to THz for each code.
+
+    Parameters
+    ----------
+    code: str
+        The code to get the conversion factor for
+
+    Returns
+    -------
+    float
+        The correct conversion factor
+
+    Raises
+    ------
+    ValueError
+        If code is not defined
+    """
+    if code in ["forcefields", "vasp"]:
+        return VaspToTHz
+    if code == "aims":
+        return omega_to_THz  # Based on CODATA 2002
+    raise ValueError(f"Frequency conversion factor for code ({code}) not defined.")
+
+
 class PhononComputationalSettings(BaseModel):
     """Collection to store computational settings for the phonon computation."""