quant-met 0.0.21__tar.gz → 0.0.23__tar.gz

{quant_met-0.0.21 → quant_met-0.0.23}/.github/workflows/integration_tests.yml

@@ -33,7 +33,7 @@ jobs:
           environment-file: environment.yml
           python-version: 3.12
           auto-activate-base: false
-      - run: cd edipack2triqs && pip install .
+      - run: git clone https://github.com/krivenko/edipack2triqs.git && cd edipack2triqs && pip install .
       - run: pip install .
       - name: Run test suite
         run: uv tool run tox -e py312 -- --with-slow-integration

{quant_met-0.0.21 → quant_met-0.0.23}/.github/workflows/unit_tests.yml

@@ -32,7 +32,7 @@ jobs:
           environment-file: environment.yml
           python-version: 3.12
           auto-activate-base: false
-      - run: cd edipack2triqs && pip install .
+      - run: git clone https://github.com/krivenko/edipack2triqs.git && cd edipack2triqs && pip install .
       - run: pip install .
       - name: Run test suite
         run: tox -- --without-slow-integration

{quant_met-0.0.21 → quant_met-0.0.23}/CHANGELOG.rst

@@ -2,6 +2,26 @@
 ..
 .. SPDX-License-Identifier: MIT
 
+.. _changelog-0.0.23:
+
+0.0.23 — 2025-03-10
+-------------------
+
+Fixed
+^^^^^
+
+- Fix wrong chemical potential for Hubbard interaction in DMFT
+
+.. _changelog-0.0.22:
+
+0.0.22 — 2025-03-07
+-------------------
+
+Fixed
+^^^^^
+
+- Fix one wrong conjugate in calculation of SF weight
+
 .. _changelog-0.0.21:
 
 0.0.21 — 2025-03-07
@@ -12,10 +32,6 @@ Changed
 
 - Moved calculation of quantum metric into the Hamiltonian
 
-Fixed
-^^^^^
-
-- Fix one wrong conjugate in calculation of SF weight
 
 .. _changelog-0.0.20:
 

{quant_met-0.0.21 → quant_met-0.0.23}/Makefile

@@ -30,7 +30,7 @@ else
 	@echo ">>> Detected conda, but $(CONDA_ENV_NAME) is missing in $(ENV_DIR). Installing ..."
 	conda env create --file=environment.yml -n $(CONDA_ENV_NAME)
 endif
-	git clone git@github.com:krivenko/edipack2triqs.git
+	git clone https://github.com/krivenko/edipack2triqs.git
 	$(CONDA_ACTIVATE) $(CONDA_ENV_NAME) && cd edipack2triqs && pip install .
 	rm -rf edipack2triqs
 	$(CONDA_ACTIVATE) $(CONDA_ENV_NAME) && pip install -e .

{quant_met-0.0.21 → quant_met-0.0.23}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: quant-met
-Version: 0.0.21
+Version: 0.0.23
 Summary: Calculate superconductivity in flat-band systems.
 Author-email: Tjark Sievers <tsievers@physnet.uni-hamburg.de>
 License-File: LICENSE.txt

{quant_met-0.0.21 → quant_met-0.0.23}/docs/source/example_input_dmft.yaml

@@ -22,7 +22,7 @@ control:
   n_spin: 1
   n_success: 1
   wmixing: 0.5
-  n_bath: 2
+  n_bath: 3
   n_iw: 1024
   n_w: 4000
   broadening: 0.005

{quant_met-0.0.21 → quant_met-0.0.23}/pyproject.toml

@@ -4,7 +4,7 @@
 
 [project]
 name = "quant-met"
-version = "0.0.21"
+version = "0.0.23"
 description = "Calculate superconductivity in flat-band systems."
 authors = [{name="Tjark Sievers", email="tsievers@physnet.uni-hamburg.de"}]
 readme = "README.md"

{quant_met-0.0.21 → quant_met-0.0.23}/src/quant_met/cli/dmft.py

@@ -43,7 +43,7 @@ def dmft_scf(parameters: Parameters) -> None:
         h0_nambu_k[k][:n_orbitals, :n_orbitals] = enk(k)
         h0_nambu_k[k][n_orbitals:, n_orbitals:] = -enk(-k)
 
-    xmu = h.hubbard_int_orbital_basis[0] / 2
+    xmu = -h.hubbard_int_orbital_basis[0] / 2
 
     solver = dmft_loop(
         tbl=tbl,

{quant_met-0.0.21 → quant_met-0.0.23}/src/quant_met/mean_field/hamiltonians/base_hamiltonian.py

@@ -714,7 +714,7 @@ class BaseHamiltonian(Generic[GenericParameters], ABC):
                                     bdg_functions[i, m].conjugate()
                                     * bdg_functions[j, n]
                                     * bdg_functions[j, p].conjugate()
-                                    * bdg_functions[i, q].conjugate()
+                                    * bdg_functions[i, q]
                                 )
 
                         c_mnpq[m, n, p, q] = 2 * c_tmp
@@ -763,7 +763,7 @@ class BaseHamiltonian(Generic[GenericParameters], ABC):
                         k=k, direction=direction_2
                     )
                     for k_index in range(len(k)):
-                        for n in [i for i in range(self.number_of_bands) if i != band]:
+                        for n in [m for m in range(self.number_of_bands) if m != band]:
                             quantum_geom_tensor[i, j] += (
                                 (
                                     bloch[k_index][:, band].conjugate()

{quant_met-0.0.21 → quant_met-0.0.23}/src/quant_met/plotting/__init__.py

@@ -20,12 +20,7 @@ Functions
     plot_superfluid_weight
 """  # noqa: D205, D400
 
-from .plotting import (
-    format_plot,
-    plot_bandstructure,
-    plot_superfluid_weight,
-    scatter_into_bz,
-)
+from .plotting import format_plot, plot_bandstructure, plot_superfluid_weight, scatter_into_bz
 
 __all__ = [
     "format_plot",

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_benchmarks.py

@@ -3,9 +3,10 @@
 # SPDX-License-Identifier: MIT
 
 import numpy as np
+import pytest
 
 from quant_met import mean_field, parameters
-import pytest
+
 
 @pytest.mark.slow_integration_test
 def test_benchmark_current_dressed_graphene(benchmark) -> None:

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_cli.py

@@ -5,7 +5,7 @@
 """Tests for the command line interface."""
 
 from pathlib import Path
-from unittest.mock import Mock, MagicMock
+from unittest.mock import MagicMock, Mock
 
 import yaml
 from click.testing import CliRunner

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_hamiltonians/test_fixed_values.py

@@ -5,6 +5,7 @@
 """Test Hamiltonian with fixed values."""
 
 import numpy as np
+
 from quant_met import geometry, mean_field, parameters
 
 

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_hamiltonians/test_random_samples.py

@@ -8,16 +8,8 @@ import numpy as np
 import numpy.typing as npt
 from hypothesis import given
 from hypothesis.extra.numpy import arrays
-from hypothesis.strategies import (
-    builds,
-    floats,
-    from_type,
-    integers,
-    just,
-    one_of,
-    register_type_strategy,
-    tuples,
-)
+from hypothesis.strategies import (builds, floats, from_type, integers, just,
+                                   one_of, register_type_strategy, tuples)
 from pydantic import BaseModel
 from scipy import linalg
 

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_hamiltonians/test_regressions.py

@@ -6,6 +6,7 @@
 
 import numpy as np
 from pytest_regressions.ndarrays_regression import NDArraysRegressionFixture
+
 from quant_met import geometry, mean_field, parameters
 
 

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_hamiltonians/test_save.py

@@ -7,6 +7,7 @@
 from pathlib import Path
 
 import numpy as np
+
 from quant_met import mean_field, parameters
 
 

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_quantum_metric.py

@@ -6,6 +6,7 @@
 
 import numpy as np
 from pytest_regressions.ndarrays_regression import NDArraysRegressionFixture
+
 from quant_met import geometry, mean_field, parameters
 
 

{quant_met-0.0.21 → quant_met-0.0.23}/tests/test_superfluid_weight.py

@@ -6,6 +6,7 @@
 
 import numpy as np
 from pytest_regressions.ndarrays_regression import NDArraysRegressionFixture
+
 from quant_met import geometry, mean_field, parameters
 
 

{quant_met-0.0.21 → quant_met-0.0.23}/tox.ini

@@ -20,7 +20,7 @@ setenv =
 [testenv:py312-lint]
 description = Linting using ruff
 allowlist_externals = ruff
-commands = ruff check src/
+commands = ruff check --fix src/
 
 [testenv:py312-type]
 description = Type checking using mypy

quant_met-0.0.21/.github/workflows/codspeed.yml

@@ -1,39 +0,0 @@
-# SPDX-FileCopyrightText: 2024 Tjark Sievers
-#
-# SPDX-License-Identifier: MIT
-
-name: CodSpeed
-
-#on:
-#  push:
-#    branches:
-#      - "main"
-#  pull_request:
-#  workflow_dispatch:
-
-jobs:
-  benchmarks:
-    name: Run benchmarks
-    runs-on: ubuntu-latest
-    defaults:
-      run:
-        shell: bash -el {0}
-    steps:
-      - uses: actions/checkout@v4
-        with:
-          fetch-depth: 0
-      - uses: actions/checkout@v4
-      - uses: conda-incubator/setup-miniconda@v3
-        with:
-          activate-environment: quant-met-dev
-          environment-file: environment.yml
-          python-version: 3.12
-          auto-activate-base: false
-      - run: cd edipack2triqs && pip install .
-      - run: pip install .
-      - run: conda list
-      - name: Run benchmarks
-        uses: CodSpeedHQ/action@v3
-        with:
-          token: ${{ secrets.CODSPEED_TOKEN }}
-          run: pytest tests/ --codspeed