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Remove phonon_utils
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bastonero committed Feb 22, 2024
1 parent 2444cb0 commit f7612d8
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Showing 2 changed files with 2 additions and 159 deletions.
148 changes: 0 additions & 148 deletions src/aiida_vibroscopy/calculations/phonon_utils.py

This file was deleted.

13 changes: 2 additions & 11 deletions src/aiida_vibroscopy/data/vibro_mixin.py
Original file line number Diff line number Diff line change
Expand Up @@ -184,7 +184,7 @@ def run_active_modes(

def run_raman_susceptibility_tensors(
self,
nac_direction: tuple[float, float, float] = lambda: [0, 0, 0],
nac_direction: tuple[float, float, float] | None = None,
with_nlo: bool = True,
use_irreps: bool = True,
degeneracy_tolerance: float = 1e-5,
Expand Down Expand Up @@ -220,11 +220,6 @@ def run_raman_susceptibility_tensors(
:return: tuple of numpy.ndarray (Raman susc. tensors, frequencies, irreps labels)
"""
try:
nac_direction = nac_direction()
except TypeError:
pass

if not isinstance(with_nlo, bool) or not isinstance(use_irreps, bool) or not isinstance(sum_rules, bool):
raise TypeError('the input is not of the correct type')

Expand Down Expand Up @@ -254,7 +249,7 @@ def run_raman_susceptibility_tensors(

def run_polarization_vectors(
self,
nac_direction: tuple[float, float, float] = lambda: [0, 0, 0],
nac_direction: tuple[float, float, float] | None = None,
use_irreps: bool = True,
degeneracy_tolerance: float = 1e-5,
asr_sum_rules: bool = False,
Expand Down Expand Up @@ -289,10 +284,6 @@ def run_polarization_vectors(
:return: tuple of :class:`numpy.ndarray` (polarization vectors, frequencies, irreps labels)
"""
try:
nac_direction = nac_direction()
except TypeError:
pass
if not isinstance(use_irreps, bool) or not isinstance(asr_sum_rules, bool):
raise TypeError('the input is not of the correct type')

Expand Down

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