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Follow recent change of phonopy
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atztogo committed Mar 19, 2024
1 parent 0a0ee32 commit 4593caa
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Showing 5 changed files with 1 addition and 5 deletions.
1 change: 0 additions & 1 deletion phono3py/other/isotope.py
Original file line number Diff line number Diff line change
Expand Up @@ -256,7 +256,6 @@ def init_dynamical_matrix(
nac_params=nac_params,
frequency_scale_factor=frequency_scale_factor,
decimals=decimals,
symprec=self._symprec,
)

def set_nac_q_direction(self, nac_q_direction=None):
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1 change: 0 additions & 1 deletion phono3py/phonon3/gruneisen.py
Original file line number Diff line number Diff line change
Expand Up @@ -149,7 +149,6 @@ def __init__(
self._scell,
self._pcell,
nac_params=nac_params,
symprec=self._symprec,
)
self._nac_q_direction = nac_q_direction

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1 change: 0 additions & 1 deletion phono3py/phonon3/interaction.py
Original file line number Diff line number Diff line change
Expand Up @@ -671,7 +671,6 @@ def init_dynamical_matrix(
nac_params=nac_params,
frequency_scale_factor=self._frequency_scale_factor,
decimals=decimals,
symprec=self._symprec,
)
self._allocate_phonon()

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1 change: 0 additions & 1 deletion phono3py/phonon3/joint_dos.py
Original file line number Diff line number Diff line change
Expand Up @@ -417,7 +417,6 @@ def _init_dynamical_matrix(self):
self._primitive,
nac_params=self._nac_params,
frequency_scale_factor=self._frequency_scale_factor,
symprec=self._symprec,
)
self._allocate_phonons()

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2 changes: 1 addition & 1 deletion test/phonon/test_velocity_operator.py
Original file line number Diff line number Diff line change
Expand Up @@ -189,7 +189,7 @@ def test_gv_operator_nacl(ph_nacl: Phonopy):
)

# we chose an 'ugly' q-point because we want to avoid degeneracies.
ph_nacl.dynamical_matrix.run([[0.1, 0.22, 0.33]])
ph_nacl.dynamical_matrix.run([0.1, 0.22, 0.33])
dm = ph_nacl.dynamical_matrix.dynamical_matrix
eigvals, eigvecs = np.linalg.eigh(dm)

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