From b7099c53b69a734427d4e6bfc599382fdc7b200a Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 24 Jun 2024 23:02:20 +0000 Subject: [PATCH 1/2] [pre-commit.ci] pre-commit autoupdate MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit updates: - [github.com/astral-sh/ruff-pre-commit: v0.1.13 → v0.4.10](https://github.com/astral-sh/ruff-pre-commit/compare/v0.1.13...v0.4.10) --- .pre-commit-config.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index c54535af..5da3a44d 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -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" ] From ccb81905c081a9c9d84ed58d256921fe85edd612 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 24 Jun 2024 23:02:36 +0000 Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- phono3py/conductivity/direct_solution.py | 6 +++--- phono3py/conductivity/rta.py | 6 +++--- phono3py/interface/calculator.py | 1 - phono3py/phonon3/real_self_energy.py | 16 ++++++++-------- 4 files changed, 14 insertions(+), 15 deletions(-) diff --git a/phono3py/conductivity/direct_solution.py b/phono3py/conductivity/direct_solution.py index 89b31ceb..0b292431 100644 --- a/phono3py/conductivity/direct_solution.py +++ b/phono3py/conductivity/direct_solution.py @@ -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.""" diff --git a/phono3py/conductivity/rta.py b/phono3py/conductivity/rta.py index f9f9e346..44a786e8 100644 --- a/phono3py/conductivity/rta.py +++ b/phono3py/conductivity/rta.py @@ -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. diff --git a/phono3py/interface/calculator.py b/phono3py/interface/calculator.py index 15f0014d..e0b52d51 100644 --- a/phono3py/interface/calculator.py +++ b/phono3py/interface/calculator.py @@ -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", diff --git a/phono3py/phonon3/real_self_energy.py b/phono3py/phonon3/real_self_energy.py index b39bc039..c2c8d95b 100644 --- a/phono3py/phonon3/real_self_energy.py +++ b/phono3py/phonon3/real_self_energy.py @@ -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