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update phonopy api
1 parent 0c2a86f commit 81c7db8

2 files changed

Lines changed: 2 additions & 2 deletions

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src/atomate2/common/jobs/phonons.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -161,10 +161,10 @@ def generate_phonon_displacements(
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cell,
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supercell_matrix,
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primitive_matrix=primitive_matrix,
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factor=factor,
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symprec=symprec,
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is_symmetry=sym_reduce,
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)
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phonon.unit_conversion_factor = factor
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phonon.generate_displacements(distance=displacement)
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supercells = phonon.supercells_with_displacements

src/atomate2/common/schemas/phonons.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -308,10 +308,10 @@ def from_forces_born(
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cell,
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supercell_matrix,
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primitive_matrix=primitive_matrix,
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factor=factor,
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symprec=symprec,
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is_symmetry=sym_reduce,
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)
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phonon.unit_conversion_factor = factor
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phonon.generate_displacements(distance=displacement)
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set_of_forces = [np.array(forces) for forces in displacement_data["forces"]]
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