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[pre-commit.ci] pre-commit autoupdate #240

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merged 2 commits into from
Jun 24, 2024
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[pre-commit.ci] pre-commit autoupdate #240

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b7099c5
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] Jun 24, 2024
ccb8190
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Jun 24, 2024
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2 changes: 1 addition & 1 deletion .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ repos:
- id: check-added-large-files

- repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.1.13
rev: v0.4.10
hooks:
- id: ruff
args: [ "--fix", "--show-fixes" ]
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6 changes: 3 additions & 3 deletions phono3py/conductivity/direct_solution.py
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Expand Up @@ -519,9 +519,9 @@ def _set_collision_matrix_at_sigmas(self, i_gp):
else:
i_data = 0
self._gamma[j, k, i_data] = self._collision.imag_self_energy
self._collision_matrix[
j, k, i_data
] = self._collision.get_collision_matrix()
self._collision_matrix[j, k, i_data] = (
self._collision.get_collision_matrix()
)

def _prepare_collision_matrix(self):
"""Collect pieces and construct collision matrix."""
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6 changes: 3 additions & 3 deletions phono3py/conductivity/rta.py
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Expand Up @@ -298,9 +298,9 @@ def _set_gamma_at_sigmas(self, i):
self._gamma_N[j, k, i] = g_N
self._gamma_U[j, k, i] = g_U
if self._is_gamma_detail:
self._gamma_detail_at_q[
k
] = self._collision.get_detailed_imag_self_energy()
self._gamma_detail_at_q[k] = (
self._collision.get_detailed_imag_self_energy()
)

def _set_gamma_at_sigmas_lowmem(self, i):
"""Calculate gamma without storing ph-ph interaction strength.
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1 change: 0 additions & 1 deletion phono3py/interface/calculator.py
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Expand Up @@ -34,7 +34,6 @@
# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.


calculator_info = {
"abinit": {"option": {"name": "--abinit", "help": "Invoke Abinit mode"}},
# 'aims': {'option': {'name': "--aims",
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16 changes: 8 additions & 8 deletions phono3py/phonon3/real_self_energy.py
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Expand Up @@ -292,16 +292,16 @@ def _run_py_with_frequency_points(self):
freqs = self._frequencies[triplet]
for j, _ in enumerate(self._band_indices):
if self._temperature > 0:
self._real_self_energies[
k, j
] += self._real_self_energies_at_bands(
j, fpoint, freqs, interaction, w
self._real_self_energies[k, j] += (
self._real_self_energies_at_bands(
j, fpoint, freqs, interaction, w
)
)
else:
self._real_self_energies[
k, j
] += self._real_self_energies_at_bands_0K(
j, fpoint, freqs, interaction, w
self._real_self_energies[k, j] += (
self._real_self_energies_at_bands_0K(
j, fpoint, freqs, interaction, w
)
)

self._real_self_energies *= self._unit_conversion
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