QAssemble 1.0.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- qassemble-1.0.0/.github/workflows/deploy-mkdocs.yml +55 -0
- qassemble-1.0.0/.github/workflows/publish.yml +38 -0
- qassemble-1.0.0/.github/workflows/test.yml +97 -0
- qassemble-1.0.0/.gitignore +13 -0
- qassemble-1.0.0/CNAME +1 -0
- qassemble-1.0.0/LICENSE +674 -0
- qassemble-1.0.0/PKG-INFO +282 -0
- qassemble-1.0.0/README.md +262 -0
- qassemble-1.0.0/dist/qassemble-1.0.0-py3-none-any.whl +0 -0
- qassemble-1.0.0/dist/qassemble-1.0.0.tar.gz +0 -0
- qassemble-1.0.0/docs/CNAME +1 -0
- qassemble-1.0.0/docs/SerialClassDiagram.md +376 -0
- qassemble-1.0.0/docs/SerialModules.md +82 -0
- qassemble-1.0.0/docs/assets/tutorials/band_comparison.png +0 -0
- qassemble-1.0.0/docs/assets/tutorials/dos.png +0 -0
- qassemble-1.0.0/docs/assets/tutorials/green_matsubara.png +0 -0
- qassemble-1.0.0/docs/getting-started/installation.md +41 -0
- qassemble-1.0.0/docs/getting-started/quickstart.md +122 -0
- qassemble-1.0.0/docs/index.md +72 -0
- qassemble-1.0.0/docs/stylesheets/extra.css +179 -0
- qassemble-1.0.0/docs/theory/dlr.md +45 -0
- qassemble-1.0.0/docs/theory/greens-function.md +90 -0
- qassemble-1.0.0/docs/theory/gw-approximation.md +149 -0
- qassemble-1.0.0/docs/theory/hamiltonian.md +114 -0
- qassemble-1.0.0/docs/theory/hartree-fock.md +81 -0
- qassemble-1.0.0/docs/tutorials/graphene-gw.md +253 -0
- qassemble-1.0.0/examples/graphene/analyze.py +178 -0
- qassemble-1.0.0/examples/graphene/interactive/g0w0.ipynb +539 -0
- qassemble-1.0.0/examples/graphene/qassemble.in +49 -0
- qassemble-1.0.0/index.html +10 -0
- qassemble-1.0.0/mkdocs.yml +87 -0
- qassemble-1.0.0/pyproject.toml +37 -0
- qassemble-1.0.0/recipe/README.md +10 -0
- qassemble-1.0.0/recipe/meta.yaml +62 -0
- qassemble-1.0.0/recipe/pydlr/meta.yaml +45 -0
- qassemble-1.0.0/setup.cfg +4 -0
- qassemble-1.0.0/site/404.html +904 -0
- qassemble-1.0.0/site/CNAME +1 -0
- qassemble-1.0.0/site/SerialClassDiagram/index.html +1447 -0
- qassemble-1.0.0/site/SerialModules/index.html +1263 -0
- qassemble-1.0.0/site/assets/images/favicon.png +0 -0
- qassemble-1.0.0/site/assets/javascripts/bundle.79ae519e.min.js +16 -0
- qassemble-1.0.0/site/assets/javascripts/bundle.79ae519e.min.js.map +7 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.ar.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.da.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.de.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.du.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.el.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.es.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.fi.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.fr.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.he.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.hi.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.hu.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.hy.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.it.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.ja.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.jp.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.kn.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.ko.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.multi.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.nl.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.no.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.pt.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.ro.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.ru.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.sa.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.stemmer.support.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.sv.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.ta.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.te.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.th.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.tr.min.js +18 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.vi.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/min/lunr.zh.min.js +1 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/tinyseg.js +206 -0
- qassemble-1.0.0/site/assets/javascripts/lunr/wordcut.js +6708 -0
- qassemble-1.0.0/site/assets/javascripts/workers/search.2c215733.min.js +42 -0
- qassemble-1.0.0/site/assets/javascripts/workers/search.2c215733.min.js.map +7 -0
- qassemble-1.0.0/site/assets/stylesheets/main.484c7ddc.min.css +1 -0
- qassemble-1.0.0/site/assets/stylesheets/main.484c7ddc.min.css.map +1 -0
- qassemble-1.0.0/site/assets/stylesheets/palette.ab4e12ef.min.css +1 -0
- qassemble-1.0.0/site/assets/stylesheets/palette.ab4e12ef.min.css.map +1 -0
- qassemble-1.0.0/site/getting-started/installation/index.html +1156 -0
- qassemble-1.0.0/site/getting-started/quickstart/index.html +1170 -0
- qassemble-1.0.0/site/index.html +1013 -0
- qassemble-1.0.0/site/search/search_index.json +1 -0
- qassemble-1.0.0/site/sitemap.xml +43 -0
- qassemble-1.0.0/site/sitemap.xml.gz +0 -0
- qassemble-1.0.0/site/stylesheets/extra.css +179 -0
- qassemble-1.0.0/site/theory/dlr/index.html +1136 -0
- qassemble-1.0.0/site/theory/greens-function/index.html +1254 -0
- qassemble-1.0.0/site/theory/gw-approximation/index.html +1389 -0
- qassemble-1.0.0/site/theory/hamiltonian/index.html +1272 -0
- qassemble-1.0.0/site/theory/hartree-fock/index.html +1199 -0
- qassemble-1.0.0/src/QAssemble/BLatDyn.py +725 -0
- qassemble-1.0.0/src/QAssemble/BLatDyn.py.bak +730 -0
- qassemble-1.0.0/src/QAssemble/BLatStc.py +1016 -0
- qassemble-1.0.0/src/QAssemble/BLocStc.py +694 -0
- qassemble-1.0.0/src/QAssemble/BPathStc.py +87 -0
- qassemble-1.0.0/src/QAssemble/CLI.py +26 -0
- qassemble-1.0.0/src/QAssemble/CorrelationFunction.py +320 -0
- qassemble-1.0.0/src/QAssemble/Crystal.py +1020 -0
- qassemble-1.0.0/src/QAssemble/FLatDyn.py +991 -0
- qassemble-1.0.0/src/QAssemble/FLatDyn.py.bak +923 -0
- qassemble-1.0.0/src/QAssemble/FLatStc.py +1475 -0
- qassemble-1.0.0/src/QAssemble/FPathDyn.py +533 -0
- qassemble-1.0.0/src/QAssemble/FPathStc.py +581 -0
- qassemble-1.0.0/src/QAssemble/Run.py +606 -0
- qassemble-1.0.0/src/QAssemble/__init__.py +61 -0
- qassemble-1.0.0/src/QAssemble/__main__.py +4 -0
- qassemble-1.0.0/src/QAssemble/migrate_hdf5.py +175 -0
- qassemble-1.0.0/src/QAssemble/utility/Bare.py +374 -0
- qassemble-1.0.0/src/QAssemble/utility/Common.py +481 -0
- qassemble-1.0.0/src/QAssemble/utility/DLR.py +246 -0
- qassemble-1.0.0/src/QAssemble/utility/Dyson.py +163 -0
- qassemble-1.0.0/src/QAssemble/utility/Dyson.py.bak +165 -0
- qassemble-1.0.0/src/QAssemble/utility/Embedding.py +289 -0
- qassemble-1.0.0/src/QAssemble/utility/Fourier.py +611 -0
- qassemble-1.0.0/src/QAssemble/utility/Mixing.py +124 -0
- qassemble-1.0.0/src/QAssemble/utility/Projection.py +235 -0
- qassemble-1.0.0/src/QAssemble/utility/__init__.py +1 -0
- qassemble-1.0.0/src/QAssemble/utility/test/TestCommon.ipynb +199 -0
- qassemble-1.0.0/src/QAssemble/utility/test/TestFourierFT.py +84 -0
- qassemble-1.0.0/src/QAssemble.egg-info/PKG-INFO +282 -0
- qassemble-1.0.0/src/QAssemble.egg-info/SOURCES.txt +142 -0
- qassemble-1.0.0/src/QAssemble.egg-info/dependency_links.txt +1 -0
- qassemble-1.0.0/src/QAssemble.egg-info/entry_points.txt +3 -0
- qassemble-1.0.0/src/QAssemble.egg-info/requires.txt +11 -0
- qassemble-1.0.0/src/QAssemble.egg-info/top_level.txt +1 -0
- qassemble-1.0.0/src/QAssemble.py +6 -0
- qassemble-1.0.0/tests/conftest.py +80 -0
- qassemble-1.0.0/tests/test_crystal.py +17 -0
- qassemble-1.0.0/tests/test_dlr.py +24 -0
- qassemble-1.0.0/tests/test_dyson.py +39 -0
- qassemble-1.0.0/tests/test_embedding_projection.py +123 -0
- qassemble-1.0.0/tests/test_example_analyze.py +44 -0
- qassemble-1.0.0/tests/test_fourier_transforms.py +44 -0
- qassemble-1.0.0/tests/test_green_mu.py +37 -0
- qassemble-1.0.0/tests/test_imports.py +22 -0
- qassemble-1.0.0/tests/test_input_file.py +157 -0
- qassemble-1.0.0/tests/test_integration_run.py +89 -0
- qassemble-1.0.0/tests/test_migrate_hdf5.py +35 -0
- qassemble-1.0.0/tests/test_reproduce_manuscript.py +42 -0
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78
|
+
|
|
79
|
+
docs:
|
|
80
|
+
runs-on: ubuntu-latest
|
|
81
|
+
|
|
82
|
+
steps:
|
|
83
|
+
- name: Checkout
|
|
84
|
+
uses: actions/checkout@v4
|
|
85
|
+
|
|
86
|
+
- name: Set up Python
|
|
87
|
+
uses: actions/setup-python@v5
|
|
88
|
+
with:
|
|
89
|
+
python-version: "3.12"
|
|
90
|
+
|
|
91
|
+
- name: Install docs dependencies
|
|
92
|
+
run: |
|
|
93
|
+
python -m pip install --upgrade pip
|
|
94
|
+
python -m pip install mkdocs mkdocs-material
|
|
95
|
+
|
|
96
|
+
- name: Build docs
|
|
97
|
+
run: mkdocs build --strict
|
qassemble-1.0.0/CNAME
ADDED
|
@@ -0,0 +1 @@
|
|
|
1
|
+
www.qassemble.org
|