├── .github └── workflows │ └── deploy_book.yml ├── .gitignore ├── LICENSE ├── README.md ├── atomate2_workflow_tutorial ├── Thumbs.db ├── _build │ ├── .doctrees │ │ ├── elastic.doctree │ │ ├── environment.pickle │ │ ├── intro.doctree │ │ └── phonon.doctree │ ├── html │ │ ├── .buildinfo │ │ ├── _images │ │ │ ├── 099a163cc2f301ba80df2c9ca6dd07025721a05eedade187fda00582a6a01b81.png │ │ │ ├── 1fff39f359e80d765350bec6f601e5f4db238dacbb31821181dcc61e7ca84f4b.png │ │ │ ├── 251e0f352daa3078e71d97324a659bbd8763185ad096490cdb77b633a7116423.png │ │ │ ├── 384e013c0a74bf207b2da5cee063ee49404933b63664ce0b25dc55ff34efd6a2.png │ │ │ ├── 44fe8442a6a7a64075f6282985aa04e9f9702b47e5f812e115a18605cc78e1de.png │ │ │ ├── 5a893cad14c1c6c749b6ddc36b0bcb1ea5f7636668c04f25840d3601731b3d21.png │ │ │ ├── 74218657ddb698c606d0c6c9eaf718ebd53c528084942ebc471ef7509d9429b2.png │ │ │ ├── 7ed9c64d0c4520ce7dafd4cd05a34250433eab48c6c7b946387736dae3980fa5.png │ │ │ ├── 83c4a891b190ee768c0121219db8d57d42a26fe99e1b696846834e3a54bb974e.png │ │ │ ├── c5f81bc8618de1f2318621d161f2aa9cf4fb8d9b2c88997151779bdc24fa4d8b.png │ │ │ ├── c77906735b6b4e40de97dcc21fa166e1fa0e07642ec17165b8d3b1b33d60fbfa.png │ │ │ ├── cd230ed20f0123c6b0c83c184019747e351d48566641b5f2d3b8108a7d7b71cd.png │ │ │ ├── cfabdab046510d066f02e3ae90d300e5b155ddeed5f74c80dfbd4dbd9d472218.png │ │ │ ├── d467fd40c51349d25d45f4bbe5d3cc782c70b7b3d58556f637777392ccbbd327.png │ │ │ ├── e10d0763fc35ab8ca4168c2e62871028c33f1116c789aea7307e879f0badc563.png │ │ │ └── e59c8414a21243d9433ee013edf86d2e1da63b4f35077519c65f58db37d9f149.png │ │ ├── _sources │ │ │ ├── elastic.ipynb │ │ │ ├── intro.md │ │ │ └── phonon.ipynb │ │ ├── _sphinx_design_static │ │ │ ├── design-tabs.js │ │ │ └── sphinx-design.min.css │ │ ├── _static │ │ │ ├── _sphinx_javascript_frameworks_compat.js │ │ │ ├── basic.css │ │ │ ├── check-solid.svg │ │ │ ├── clipboard.min.js │ │ │ ├── copy-button.svg │ │ │ ├── copybutton.css │ │ │ ├── copybutton.js │ │ │ ├── copybutton_funcs.js │ │ │ ├── design-style.4045f2051d55cab465a707391d5b2007.min.css │ │ │ ├── design-tabs.js │ │ │ ├── doctools.js │ │ │ ├── documentation_options.js │ │ │ ├── file.png │ │ │ ├── images │ │ │ │ ├── logo_binder.svg │ │ │ │ ├── logo_colab.png │ │ │ │ ├── logo_deepnote.svg │ │ │ │ └── logo_jupyterhub.svg │ │ │ ├── jquery-3.6.0.js │ │ │ ├── jquery.js │ │ │ ├── language_data.js │ │ │ ├── locales │ │ │ │ ├── ar │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── bg │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── bn │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ca │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── cs │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── da │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── de │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── el │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── eo │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── es │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── et │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── fi │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── fr │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── hr │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── id │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── it │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── iw │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ja │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ko │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── lt │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── lv │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ml │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── mr │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ms │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── nl │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── no │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── pl │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── pt │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ro │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ru │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── sk │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── sl │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── sr │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── sv │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ta │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── te │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── tg │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── th │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── tl │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── tr │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── uk │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── ur │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── vi │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ ├── zh_CN │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ │ └── booktheme.po │ │ │ │ └── zh_TW │ │ │ │ │ └── LC_MESSAGES │ │ │ │ │ └── booktheme.po │ │ │ ├── logo.png │ │ │ ├── minus.png │ │ │ ├── mystnb.4510f1fc1dee50b3e5859aac5469c37c29e427902b24a333a5f9fcb2f0b3ac41.css │ │ │ ├── play-solid.svg │ │ │ ├── plus.png │ │ │ ├── pygments.css │ │ │ ├── sbt-webpack-macros.html │ │ │ ├── scripts │ │ │ │ ├── bootstrap.js │ │ │ │ ├── bootstrap.js.LICENSE.txt │ │ │ │ ├── bootstrap.js.map │ │ │ │ ├── pydata-sphinx-theme.js │ │ │ │ ├── pydata-sphinx-theme.js.map │ │ │ │ ├── sphinx-book-theme.js │ │ │ │ └── sphinx-book-theme.js.map │ │ │ ├── searchtools.js │ │ │ ├── sphinx-design.min.css │ │ │ ├── sphinx-thebe.css │ │ │ ├── sphinx-thebe.js │ │ │ ├── sphinx_highlight.js │ │ │ ├── styles │ │ │ │ ├── bootstrap.css │ │ │ │ ├── bootstrap.css.map │ │ │ │ ├── pydata-sphinx-theme.css │ │ │ │ ├── pydata-sphinx-theme.css.map │ │ │ │ ├── sphinx-book-theme.css │ │ │ │ ├── sphinx-book-theme.css.map │ │ │ │ └── theme.css │ │ │ ├── togglebutton.css │ │ │ ├── togglebutton.js │ │ │ ├── underscore-1.13.1.js │ │ │ ├── underscore.js │ │ │ ├── vendor │ │ │ │ └── fontawesome │ │ │ │ │ ├── 6.1.2 │ │ │ │ │ ├── LICENSE.txt │ │ │ │ │ ├── css │ │ │ │ │ │ └── all.min.css │ │ │ │ │ ├── js │ │ │ │ │ │ ├── all.min.js │ │ │ │ │ │ └── all.min.js.LICENSE.txt │ │ │ │ │ └── webfonts │ │ │ │ │ │ ├── fa-brands-400.ttf │ │ │ │ │ │ ├── fa-brands-400.woff2 │ │ │ │ │ │ ├── fa-regular-400.ttf │ │ │ │ │ │ ├── fa-regular-400.woff2 │ │ │ │ │ │ ├── fa-solid-900.ttf │ │ │ │ │ │ ├── fa-solid-900.woff2 │ │ │ │ │ │ ├── fa-v4compatibility.ttf │ │ │ │ │ │ └── fa-v4compatibility.woff2 │ │ │ │ │ └── 6.5.2 │ │ │ │ │ ├── LICENSE.txt │ │ │ │ │ ├── css │ │ │ │ │ └── all.min.css │ │ │ │ │ ├── js │ │ │ │ │ ├── all.min.js │ │ │ │ │ └── all.min.js.LICENSE.txt │ │ │ │ │ └── webfonts │ │ │ │ │ ├── fa-brands-400.ttf │ │ │ │ │ ├── fa-brands-400.woff2 │ │ │ │ │ ├── fa-regular-400.ttf │ │ │ │ │ ├── fa-regular-400.woff2 │ │ │ │ │ ├── fa-solid-900.ttf │ │ │ │ │ ├── fa-solid-900.woff2 │ │ │ │ │ ├── fa-v4compatibility.ttf │ │ │ │ │ └── fa-v4compatibility.woff2 │ │ │ └── webpack-macros.html │ │ ├── elastic.html │ │ ├── genindex.html │ │ ├── index.html │ │ ├── intro.html │ │ ├── objects.inv │ │ ├── phonon.html │ │ ├── search.html │ │ └── searchindex.js │ └── jupyter_execute │ │ ├── 099a163cc2f301ba80df2c9ca6dd07025721a05eedade187fda00582a6a01b81.png │ │ ├── 1fff39f359e80d765350bec6f601e5f4db238dacbb31821181dcc61e7ca84f4b.png │ │ ├── 251e0f352daa3078e71d97324a659bbd8763185ad096490cdb77b633a7116423.png │ │ ├── 384e013c0a74bf207b2da5cee063ee49404933b63664ce0b25dc55ff34efd6a2.png │ │ ├── 44fe8442a6a7a64075f6282985aa04e9f9702b47e5f812e115a18605cc78e1de.png │ │ ├── 5a893cad14c1c6c749b6ddc36b0bcb1ea5f7636668c04f25840d3601731b3d21.png │ │ ├── 74218657ddb698c606d0c6c9eaf718ebd53c528084942ebc471ef7509d9429b2.png │ │ ├── 7e4aa85b4791cde2e6d1587bea857939c65143093c55e9661b56ad1bdc19db6e.png │ │ ├── 7ed9c64d0c4520ce7dafd4cd05a34250433eab48c6c7b946387736dae3980fa5.png │ │ ├── 83c4a891b190ee768c0121219db8d57d42a26fe99e1b696846834e3a54bb974e.png │ │ ├── c5f81bc8618de1f2318621d161f2aa9cf4fb8d9b2c88997151779bdc24fa4d8b.png │ │ ├── c77906735b6b4e40de97dcc21fa166e1fa0e07642ec17165b8d3b1b33d60fbfa.png │ │ ├── cd230ed20f0123c6b0c83c184019747e351d48566641b5f2d3b8108a7d7b71cd.png │ │ ├── cfabdab046510d066f02e3ae90d300e5b155ddeed5f74c80dfbd4dbd9d472218.png │ │ ├── d467fd40c51349d25d45f4bbe5d3cc782c70b7b3d58556f637777392ccbbd327.png │ │ ├── e10d0763fc35ab8ca4168c2e62871028c33f1116c789aea7307e879f0badc563.png │ │ ├── e59c8414a21243d9433ee013edf86d2e1da63b4f35077519c65f58db37d9f149.png │ │ ├── elastic.ipynb │ │ └── phonon.ipynb ├── _config.yml ├── _toc.yml ├── elastic.ipynb ├── intro.md ├── logo.png ├── phonon.ipynb ├── references.bib └── requirements.txt └── requirements.txt /.github/workflows/deploy_book.yml: -------------------------------------------------------------------------------- 1 | name: deploy-book 2 | 3 | # Only run this when the master branch changes 4 | on: 5 | push: 6 | branches: 7 | - main 8 | paths: 9 | - Tutorial/** 10 | permissions: 11 | contents: write 12 | 13 | # This job installs dependencies, builds the book, and pushes it to `gh-pages` 14 | jobs: 15 | deploy-book: 16 | runs-on: ubuntu-latest 17 | steps: 18 | - uses: actions/checkout@v3 19 | 20 | # Install dependencies 21 | - name: Set up Python 3.10 22 | uses: actions/setup-python@v3 23 | with: 24 | python-version: '3.10' 25 | 26 | - name: Install dependencies 27 | run: | 28 | pip install -r requirements.txt 29 | 30 | # Build the book 31 | - name: Build the book 32 | run: | 33 | jupyter-book build Tutorial 34 | 35 | # Push the book's HTML to github-pages 36 | - name: GitHub Pages action 37 | uses: peaceiris/actions-gh-pages@v3.6.1 38 | with: 39 | github_token: ${{ secrets.GITHUB_TOKEN }} 40 | publish_dir: Tutorial/_build/html 41 | -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | # Byte-compiled / optimized / DLL files 2 | __pycache__/ 3 | *.py[cod] 4 | *$py.class 5 | 6 | # C extensions 7 | *.so 8 | 9 | # Distribution / packaging 10 | .Python 11 | build/ 12 | develop-eggs/ 13 | dist/ 14 | downloads/ 15 | eggs/ 16 | .eggs/ 17 | lib/ 18 | lib64/ 19 | parts/ 20 | sdist/ 21 | var/ 22 | wheels/ 23 | share/python-wheels/ 24 | *.egg-info/ 25 | .installed.cfg 26 | *.egg 27 | MANIFEST 28 | 29 | # PyInstaller 30 | # Usually these files are written by a python script from a template 31 | # before PyInstaller builds the exe, so as to inject date/other infos into it. 32 | *.manifest 33 | *.spec 34 | 35 | # Installer logs 36 | pip-log.txt 37 | pip-delete-this-directory.txt 38 | 39 | # Unit test / coverage reports 40 | htmlcov/ 41 | .tox/ 42 | .nox/ 43 | .coverage 44 | .coverage.* 45 | .cache 46 | nosetests.xml 47 | coverage.xml 48 | *.cover 49 | *.py,cover 50 | .hypothesis/ 51 | .pytest_cache/ 52 | cover/ 53 | 54 | # Translations 55 | *.mo 56 | *.pot 57 | 58 | # Django stuff: 59 | *.log 60 | local_settings.py 61 | db.sqlite3 62 | db.sqlite3-journal 63 | 64 | # Flask stuff: 65 | instance/ 66 | .webassets-cache 67 | 68 | # Scrapy stuff: 69 | .scrapy 70 | 71 | # Sphinx documentation 72 | docs/_build/ 73 | 74 | # PyBuilder 75 | .pybuilder/ 76 | target/ 77 | 78 | # Jupyter Notebook 79 | .ipynb_checkpoints 80 | 81 | # IPython 82 | profile_default/ 83 | ipython_config.py 84 | 85 | # pyenv 86 | # For a library or package, you might want to ignore these files since the code is 87 | # intended to run in multiple environments; otherwise, check them in: 88 | # .python-version 89 | 90 | # pipenv 91 | # According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. 92 | # However, in case of collaboration, if having platform-specific dependencies or dependencies 93 | # having no cross-platform support, pipenv may install dependencies that don't work, or not 94 | # install all needed dependencies. 95 | #Pipfile.lock 96 | 97 | # poetry 98 | # Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control. 99 | # This is especially recommended for binary packages to ensure reproducibility, and is more 100 | # commonly ignored for libraries. 101 | # https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control 102 | #poetry.lock 103 | 104 | # pdm 105 | # Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control. 106 | #pdm.lock 107 | # pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it 108 | # in version control. 109 | # https://pdm.fming.dev/#use-with-ide 110 | .pdm.toml 111 | 112 | # PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm 113 | __pypackages__/ 114 | 115 | # Celery stuff 116 | celerybeat-schedule 117 | celerybeat.pid 118 | 119 | # SageMath parsed files 120 | *.sage.py 121 | 122 | # Environments 123 | .env 124 | .venv 125 | env/ 126 | venv/ 127 | ENV/ 128 | env.bak/ 129 | venv.bak/ 130 | 131 | # Spyder project settings 132 | .spyderproject 133 | .spyproject 134 | 135 | # Rope project settings 136 | .ropeproject 137 | 138 | # mkdocs documentation 139 | /site 140 | 141 | # mypy 142 | .mypy_cache/ 143 | .dmypy.json 144 | dmypy.json 145 | 146 | # Pyre type checker 147 | .pyre/ 148 | 149 | # pytype static type analyzer 150 | .pytype/ 151 | 152 | # Cython debug symbols 153 | cython_debug/ 154 | 155 | # PyCharm 156 | # JetBrains specific template is maintained in a separate JetBrains.gitignore that can 157 | # be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore 158 | # and can be added to the global gitignore or merged into this file. For a more nuclear 159 | # option (not recommended) you can uncomment the following to ignore the entire idea folder. 160 | #.idea/ 161 | -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | BSD 3-Clause License 2 | 3 | Copyright (c) 2023, J. George 4 | 5 | Redistribution and use in source and binary forms, with or without 6 | modification, are permitted provided that the following conditions are met: 7 | 8 | 1. Redistributions of source code must retain the above copyright notice, this 9 | list of conditions and the following disclaimer. 10 | 11 | 2. Redistributions in binary form must reproduce the above copyright notice, 12 | this list of conditions and the following disclaimer in the documentation 13 | and/or other materials provided with the distribution. 14 | 15 | 3. Neither the name of the copyright holder nor the names of its 16 | contributors may be used to endorse or promote products derived from 17 | this software without specific prior written permission. 18 | 19 | THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" 20 | AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE 21 | IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE 22 | DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE 23 | FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL 24 | DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR 25 | SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER 26 | CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, 27 | OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE 28 | OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 29 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # TutorialAtomate2Forcefields 2 | Tutorial to play around with atomate2 and universal ML potentias 3 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/Thumbs.db: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/Thumbs.db -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/.doctrees/elastic.doctree: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/.doctrees/elastic.doctree -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/.doctrees/environment.pickle: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/.doctrees/environment.pickle -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/.doctrees/intro.doctree: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/.doctrees/intro.doctree -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/.doctrees/phonon.doctree: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/.doctrees/phonon.doctree -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/.buildinfo: -------------------------------------------------------------------------------- 1 | # Sphinx build info version 1 2 | # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. 3 | config: bc709d581b27d7fcd467508c3d94a7eb 4 | tags: 645f666f9bcd5a90fca523b33c5a78b7 5 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/099a163cc2f301ba80df2c9ca6dd07025721a05eedade187fda00582a6a01b81.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/099a163cc2f301ba80df2c9ca6dd07025721a05eedade187fda00582a6a01b81.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/1fff39f359e80d765350bec6f601e5f4db238dacbb31821181dcc61e7ca84f4b.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/1fff39f359e80d765350bec6f601e5f4db238dacbb31821181dcc61e7ca84f4b.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/251e0f352daa3078e71d97324a659bbd8763185ad096490cdb77b633a7116423.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/251e0f352daa3078e71d97324a659bbd8763185ad096490cdb77b633a7116423.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/384e013c0a74bf207b2da5cee063ee49404933b63664ce0b25dc55ff34efd6a2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/384e013c0a74bf207b2da5cee063ee49404933b63664ce0b25dc55ff34efd6a2.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/44fe8442a6a7a64075f6282985aa04e9f9702b47e5f812e115a18605cc78e1de.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/44fe8442a6a7a64075f6282985aa04e9f9702b47e5f812e115a18605cc78e1de.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/5a893cad14c1c6c749b6ddc36b0bcb1ea5f7636668c04f25840d3601731b3d21.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/5a893cad14c1c6c749b6ddc36b0bcb1ea5f7636668c04f25840d3601731b3d21.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/74218657ddb698c606d0c6c9eaf718ebd53c528084942ebc471ef7509d9429b2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/74218657ddb698c606d0c6c9eaf718ebd53c528084942ebc471ef7509d9429b2.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/7ed9c64d0c4520ce7dafd4cd05a34250433eab48c6c7b946387736dae3980fa5.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/7ed9c64d0c4520ce7dafd4cd05a34250433eab48c6c7b946387736dae3980fa5.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/83c4a891b190ee768c0121219db8d57d42a26fe99e1b696846834e3a54bb974e.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/83c4a891b190ee768c0121219db8d57d42a26fe99e1b696846834e3a54bb974e.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/c5f81bc8618de1f2318621d161f2aa9cf4fb8d9b2c88997151779bdc24fa4d8b.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/c5f81bc8618de1f2318621d161f2aa9cf4fb8d9b2c88997151779bdc24fa4d8b.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/c77906735b6b4e40de97dcc21fa166e1fa0e07642ec17165b8d3b1b33d60fbfa.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/c77906735b6b4e40de97dcc21fa166e1fa0e07642ec17165b8d3b1b33d60fbfa.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/cd230ed20f0123c6b0c83c184019747e351d48566641b5f2d3b8108a7d7b71cd.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/cd230ed20f0123c6b0c83c184019747e351d48566641b5f2d3b8108a7d7b71cd.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/cfabdab046510d066f02e3ae90d300e5b155ddeed5f74c80dfbd4dbd9d472218.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/cfabdab046510d066f02e3ae90d300e5b155ddeed5f74c80dfbd4dbd9d472218.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/d467fd40c51349d25d45f4bbe5d3cc782c70b7b3d58556f637777392ccbbd327.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/d467fd40c51349d25d45f4bbe5d3cc782c70b7b3d58556f637777392ccbbd327.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/e10d0763fc35ab8ca4168c2e62871028c33f1116c789aea7307e879f0badc563.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/e10d0763fc35ab8ca4168c2e62871028c33f1116c789aea7307e879f0badc563.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_images/e59c8414a21243d9433ee013edf86d2e1da63b4f35077519c65f58db37d9f149.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_images/e59c8414a21243d9433ee013edf86d2e1da63b4f35077519c65f58db37d9f149.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_sources/intro.md: -------------------------------------------------------------------------------- 1 | # Welcome to a tutorial on atomate2 in connection with universal ML potentials 2 | 3 | This tutorial will illustrate some of the basic features of atomate2. This tutorial has been written by J. George and A. Naik from BAM. 4 | 5 | It is build based on workflows that can be executed with universal ML potentials such as [M3GNet](https://doi.org/10.1038/s43588-022-00349-3) and [CHGNet](https://doi.org/10.1038/s42256-023-00716-3). Please be aware that they are not very accurate for these tasks. 6 | 7 | If you want accurate results, you could for example train our own ML potential for a specific composition. We currently provide a GAP interface but any other ML potential that is connected to ASE should be interfaced with a few lines of code. 8 | 9 | ```{tableofcontents} 10 | ``` 11 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_sphinx_design_static/design-tabs.js: -------------------------------------------------------------------------------- 1 | var sd_labels_by_text = {}; 2 | 3 | function ready() { 4 | const li = document.getElementsByClassName("sd-tab-label"); 5 | for (const label of li) { 6 | syncId = label.getAttribute("data-sync-id"); 7 | if (syncId) { 8 | label.onclick = onLabelClick; 9 | if (!sd_labels_by_text[syncId]) { 10 | sd_labels_by_text[syncId] = []; 11 | } 12 | sd_labels_by_text[syncId].push(label); 13 | } 14 | } 15 | } 16 | 17 | function onLabelClick() { 18 | // Activate other inputs with the same sync id. 19 | syncId = this.getAttribute("data-sync-id"); 20 | for (label of sd_labels_by_text[syncId]) { 21 | if (label === this) continue; 22 | label.previousElementSibling.checked = true; 23 | } 24 | window.localStorage.setItem("sphinx-design-last-tab", syncId); 25 | } 26 | 27 | document.addEventListener("DOMContentLoaded", ready, false); 28 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/_sphinx_javascript_frameworks_compat.js: -------------------------------------------------------------------------------- 1 | /* 2 | * _sphinx_javascript_frameworks_compat.js 3 | * ~~~~~~~~~~ 4 | * 5 | * Compatability shim for jQuery and underscores.js. 6 | * 7 | * WILL BE REMOVED IN Sphinx 6.0 8 | * xref RemovedInSphinx60Warning 9 | * 10 | */ 11 | 12 | /** 13 | * select a different prefix for underscore 14 | */ 15 | $u = _.noConflict(); 16 | 17 | 18 | /** 19 | * small helper function to urldecode strings 20 | * 21 | * See https://developer.mozilla.org/en-US/docs/Web/JavaScript/Reference/Global_Objects/decodeURIComponent#Decoding_query_parameters_from_a_URL 22 | */ 23 | jQuery.urldecode = function(x) { 24 | if (!x) { 25 | return x 26 | } 27 | return decodeURIComponent(x.replace(/\+/g, ' ')); 28 | }; 29 | 30 | /** 31 | * small helper function to urlencode strings 32 | */ 33 | jQuery.urlencode = encodeURIComponent; 34 | 35 | /** 36 | * This function returns the parsed url parameters of the 37 | * current request. Multiple values per key are supported, 38 | * it will always return arrays of strings for the value parts. 39 | */ 40 | jQuery.getQueryParameters = function(s) { 41 | if (typeof s === 'undefined') 42 | s = document.location.search; 43 | var parts = s.substr(s.indexOf('?') + 1).split('&'); 44 | var result = {}; 45 | for (var i = 0; i < parts.length; i++) { 46 | var tmp = parts[i].split('=', 2); 47 | var key = jQuery.urldecode(tmp[0]); 48 | var value = jQuery.urldecode(tmp[1]); 49 | if (key in result) 50 | result[key].push(value); 51 | else 52 | result[key] = [value]; 53 | } 54 | return result; 55 | }; 56 | 57 | /** 58 | * highlight a given string on a jquery object by wrapping it in 59 | * span elements with the given class name. 60 | */ 61 | jQuery.fn.highlightText = function(text, className) { 62 | function highlight(node, addItems) { 63 | if (node.nodeType === 3) { 64 | var val = node.nodeValue; 65 | var pos = val.toLowerCase().indexOf(text); 66 | if (pos >= 0 && 67 | !jQuery(node.parentNode).hasClass(className) && 68 | !jQuery(node.parentNode).hasClass("nohighlight")) { 69 | var span; 70 | var isInSVG = jQuery(node).closest("body, svg, foreignObject").is("svg"); 71 | if (isInSVG) { 72 | span = document.createElementNS("http://www.w3.org/2000/svg", "tspan"); 73 | } else { 74 | span = document.createElement("span"); 75 | span.className = className; 76 | } 77 | span.appendChild(document.createTextNode(val.substr(pos, text.length))); 78 | node.parentNode.insertBefore(span, node.parentNode.insertBefore( 79 | document.createTextNode(val.substr(pos + text.length)), 80 | node.nextSibling)); 81 | node.nodeValue = val.substr(0, pos); 82 | if (isInSVG) { 83 | var rect = document.createElementNS("http://www.w3.org/2000/svg", "rect"); 84 | var bbox = node.parentElement.getBBox(); 85 | rect.x.baseVal.value = bbox.x; 86 | rect.y.baseVal.value = bbox.y; 87 | rect.width.baseVal.value = bbox.width; 88 | rect.height.baseVal.value = bbox.height; 89 | rect.setAttribute('class', className); 90 | addItems.push({ 91 | "parent": node.parentNode, 92 | "target": rect}); 93 | } 94 | } 95 | } 96 | else if (!jQuery(node).is("button, select, textarea")) { 97 | jQuery.each(node.childNodes, function() { 98 | highlight(this, addItems); 99 | }); 100 | } 101 | } 102 | var addItems = []; 103 | var result = this.each(function() { 104 | highlight(this, addItems); 105 | }); 106 | for (var i = 0; i < addItems.length; ++i) { 107 | jQuery(addItems[i].parent).before(addItems[i].target); 108 | } 109 | return result; 110 | }; 111 | 112 | /* 113 | * backward compatibility for jQuery.browser 114 | * This will be supported until firefox bug is fixed. 115 | */ 116 | if (!jQuery.browser) { 117 | jQuery.uaMatch = function(ua) { 118 | ua = ua.toLowerCase(); 119 | 120 | var match = /(chrome)[ \/]([\w.]+)/.exec(ua) || 121 | /(webkit)[ \/]([\w.]+)/.exec(ua) || 122 | /(opera)(?:.*version|)[ \/]([\w.]+)/.exec(ua) || 123 | /(msie) ([\w.]+)/.exec(ua) || 124 | ua.indexOf("compatible") < 0 && /(mozilla)(?:.*? rv:([\w.]+)|)/.exec(ua) || 125 | []; 126 | 127 | return { 128 | browser: match[ 1 ] || "", 129 | version: match[ 2 ] || "0" 130 | }; 131 | }; 132 | jQuery.browser = {}; 133 | jQuery.browser[jQuery.uaMatch(navigator.userAgent).browser] = true; 134 | } 135 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/check-solid.svg: -------------------------------------------------------------------------------- 1 | 2 | 3 | 4 | 5 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/clipboard.min.js: -------------------------------------------------------------------------------- 1 | /*! 2 | * clipboard.js v2.0.8 3 | * https://clipboardjs.com/ 4 | * 5 | * Licensed MIT © Zeno Rocha 6 | */ 7 | !function(t,e){"object"==typeof exports&&"object"==typeof module?module.exports=e():"function"==typeof define&&define.amd?define([],e):"object"==typeof exports?exports.ClipboardJS=e():t.ClipboardJS=e()}(this,function(){return n={686:function(t,e,n){"use strict";n.d(e,{default:function(){return o}});var e=n(279),i=n.n(e),e=n(370),u=n.n(e),e=n(817),c=n.n(e);function a(t){try{return document.execCommand(t)}catch(t){return}}var f=function(t){t=c()(t);return a("cut"),t};var l=function(t){var e,n,o,r=1 2 | 3 | 4 | 5 | 6 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/copybutton.css: -------------------------------------------------------------------------------- 1 | /* Copy buttons */ 2 | button.copybtn { 3 | position: absolute; 4 | display: flex; 5 | top: .3em; 6 | right: .3em; 7 | width: 1.7em; 8 | height: 1.7em; 9 | opacity: 0; 10 | transition: opacity 0.3s, border .3s, background-color .3s; 11 | user-select: none; 12 | padding: 0; 13 | border: none; 14 | outline: none; 15 | border-radius: 0.4em; 16 | /* The colors that GitHub uses */ 17 | border: #1b1f2426 1px solid; 18 | background-color: #f6f8fa; 19 | color: #57606a; 20 | } 21 | 22 | button.copybtn.success { 23 | border-color: #22863a; 24 | color: #22863a; 25 | } 26 | 27 | button.copybtn svg { 28 | stroke: currentColor; 29 | width: 1.5em; 30 | height: 1.5em; 31 | padding: 0.1em; 32 | } 33 | 34 | div.highlight { 35 | position: relative; 36 | } 37 | 38 | /* Show the copybutton */ 39 | .highlight:hover button.copybtn, button.copybtn.success { 40 | opacity: 1; 41 | } 42 | 43 | .highlight button.copybtn:hover { 44 | background-color: rgb(235, 235, 235); 45 | } 46 | 47 | .highlight button.copybtn:active { 48 | background-color: rgb(187, 187, 187); 49 | } 50 | 51 | /** 52 | * A minimal CSS-only tooltip copied from: 53 | * https://codepen.io/mildrenben/pen/rVBrpK 54 | * 55 | * To use, write HTML like the following: 56 | * 57 | *

Short

58 | */ 59 | .o-tooltip--left { 60 | position: relative; 61 | } 62 | 63 | .o-tooltip--left:after { 64 | opacity: 0; 65 | visibility: hidden; 66 | position: absolute; 67 | content: attr(data-tooltip); 68 | padding: .2em; 69 | font-size: .8em; 70 | left: -.2em; 71 | background: grey; 72 | color: white; 73 | white-space: nowrap; 74 | z-index: 2; 75 | border-radius: 2px; 76 | transform: translateX(-102%) translateY(0); 77 | transition: opacity 0.2s cubic-bezier(0.64, 0.09, 0.08, 1), transform 0.2s cubic-bezier(0.64, 0.09, 0.08, 1); 78 | } 79 | 80 | .o-tooltip--left:hover:after { 81 | display: block; 82 | opacity: 1; 83 | visibility: visible; 84 | transform: translateX(-100%) translateY(0); 85 | transition: opacity 0.2s cubic-bezier(0.64, 0.09, 0.08, 1), transform 0.2s cubic-bezier(0.64, 0.09, 0.08, 1); 86 | transition-delay: .5s; 87 | } 88 | 89 | /* By default the copy button shouldn't show up when printing a page */ 90 | @media print { 91 | button.copybtn { 92 | display: none; 93 | } 94 | } 95 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/copybutton_funcs.js: -------------------------------------------------------------------------------- 1 | function escapeRegExp(string) { 2 | return string.replace(/[.*+?^${}()|[\]\\]/g, '\\$&'); // $& means the whole matched string 3 | } 4 | 5 | /** 6 | * Removes excluded text from a Node. 7 | * 8 | * @param {Node} target Node to filter. 9 | * @param {string} exclude CSS selector of nodes to exclude. 10 | * @returns {DOMString} Text from `target` with text removed. 11 | */ 12 | export function filterText(target, exclude) { 13 | const clone = target.cloneNode(true); // clone as to not modify the live DOM 14 | if (exclude) { 15 | // remove excluded nodes 16 | clone.querySelectorAll(exclude).forEach(node => node.remove()); 17 | } 18 | return clone.innerText; 19 | } 20 | 21 | // Callback when a copy button is clicked. Will be passed the node that was clicked 22 | // should then grab the text and replace pieces of text that shouldn't be used in output 23 | export function formatCopyText(textContent, copybuttonPromptText, isRegexp = false, onlyCopyPromptLines = true, removePrompts = true, copyEmptyLines = true, lineContinuationChar = "", hereDocDelim = "") { 24 | var regexp; 25 | var match; 26 | 27 | // Do we check for line continuation characters and "HERE-documents"? 28 | var useLineCont = !!lineContinuationChar 29 | var useHereDoc = !!hereDocDelim 30 | 31 | // create regexp to capture prompt and remaining line 32 | if (isRegexp) { 33 | regexp = new RegExp('^(' + copybuttonPromptText + ')(.*)') 34 | } else { 35 | regexp = new RegExp('^(' + escapeRegExp(copybuttonPromptText) + ')(.*)') 36 | } 37 | 38 | const outputLines = []; 39 | var promptFound = false; 40 | var gotLineCont = false; 41 | var gotHereDoc = false; 42 | const lineGotPrompt = []; 43 | for (const line of textContent.split('\n')) { 44 | match = line.match(regexp) 45 | if (match || gotLineCont || gotHereDoc) { 46 | promptFound = regexp.test(line) 47 | lineGotPrompt.push(promptFound) 48 | if (removePrompts && promptFound) { 49 | outputLines.push(match[2]) 50 | } else { 51 | outputLines.push(line) 52 | } 53 | gotLineCont = line.endsWith(lineContinuationChar) & useLineCont 54 | if (line.includes(hereDocDelim) & useHereDoc) 55 | gotHereDoc = !gotHereDoc 56 | } else if (!onlyCopyPromptLines) { 57 | outputLines.push(line) 58 | } else if (copyEmptyLines && line.trim() === '') { 59 | outputLines.push(line) 60 | } 61 | } 62 | 63 | // If no lines with the prompt were found then just use original lines 64 | if (lineGotPrompt.some(v => v === true)) { 65 | textContent = outputLines.join('\n'); 66 | } 67 | 68 | // Remove a trailing newline to avoid auto-running when pasting 69 | if (textContent.endsWith("\n")) { 70 | textContent = textContent.slice(0, -1) 71 | } 72 | return textContent 73 | } 74 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/design-tabs.js: -------------------------------------------------------------------------------- 1 | var sd_labels_by_text = {}; 2 | 3 | function ready() { 4 | const li = document.getElementsByClassName("sd-tab-label"); 5 | for (const label of li) { 6 | syncId = label.getAttribute("data-sync-id"); 7 | if (syncId) { 8 | label.onclick = onLabelClick; 9 | if (!sd_labels_by_text[syncId]) { 10 | sd_labels_by_text[syncId] = []; 11 | } 12 | sd_labels_by_text[syncId].push(label); 13 | } 14 | } 15 | } 16 | 17 | function onLabelClick() { 18 | // Activate other inputs with the same sync id. 19 | syncId = this.getAttribute("data-sync-id"); 20 | for (label of sd_labels_by_text[syncId]) { 21 | if (label === this) continue; 22 | label.previousElementSibling.checked = true; 23 | } 24 | window.localStorage.setItem("sphinx-design-last-tab", syncId); 25 | } 26 | 27 | document.addEventListener("DOMContentLoaded", ready, false); 28 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/doctools.js: -------------------------------------------------------------------------------- 1 | /* 2 | * doctools.js 3 | * ~~~~~~~~~~~ 4 | * 5 | * Base JavaScript utilities for all Sphinx HTML documentation. 6 | * 7 | * :copyright: Copyright 2007-2024 by the Sphinx team, see AUTHORS. 8 | * :license: BSD, see LICENSE for details. 9 | * 10 | */ 11 | "use strict"; 12 | 13 | const BLACKLISTED_KEY_CONTROL_ELEMENTS = new Set([ 14 | "TEXTAREA", 15 | "INPUT", 16 | "SELECT", 17 | "BUTTON", 18 | ]); 19 | 20 | const _ready = (callback) => { 21 | if (document.readyState !== "loading") { 22 | callback(); 23 | } else { 24 | document.addEventListener("DOMContentLoaded", callback); 25 | } 26 | }; 27 | 28 | /** 29 | * Small JavaScript module for the documentation. 30 | */ 31 | const Documentation = { 32 | init: () => { 33 | Documentation.initDomainIndexTable(); 34 | Documentation.initOnKeyListeners(); 35 | }, 36 | 37 | /** 38 | * i18n support 39 | */ 40 | TRANSLATIONS: {}, 41 | PLURAL_EXPR: (n) => (n === 1 ? 0 : 1), 42 | LOCALE: "unknown", 43 | 44 | // gettext and ngettext don't access this so that the functions 45 | // can safely bound to a different name (_ = Documentation.gettext) 46 | gettext: (string) => { 47 | const translated = Documentation.TRANSLATIONS[string]; 48 | switch (typeof translated) { 49 | case "undefined": 50 | return string; // no translation 51 | case "string": 52 | return translated; // translation exists 53 | default: 54 | return translated[0]; // (singular, plural) translation tuple exists 55 | } 56 | }, 57 | 58 | ngettext: (singular, plural, n) => { 59 | const translated = Documentation.TRANSLATIONS[singular]; 60 | if (typeof translated !== "undefined") 61 | return translated[Documentation.PLURAL_EXPR(n)]; 62 | return n === 1 ? singular : plural; 63 | }, 64 | 65 | addTranslations: (catalog) => { 66 | Object.assign(Documentation.TRANSLATIONS, catalog.messages); 67 | Documentation.PLURAL_EXPR = new Function( 68 | "n", 69 | `return (${catalog.plural_expr})` 70 | ); 71 | Documentation.LOCALE = catalog.locale; 72 | }, 73 | 74 | /** 75 | * helper function to focus on search bar 76 | */ 77 | focusSearchBar: () => { 78 | document.querySelectorAll("input[name=q]")[0]?.focus(); 79 | }, 80 | 81 | /** 82 | * Initialise the domain index toggle buttons 83 | */ 84 | initDomainIndexTable: () => { 85 | const toggler = (el) => { 86 | const idNumber = el.id.substr(7); 87 | const toggledRows = document.querySelectorAll(`tr.cg-${idNumber}`); 88 | if (el.src.substr(-9) === "minus.png") { 89 | el.src = `${el.src.substr(0, el.src.length - 9)}plus.png`; 90 | toggledRows.forEach((el) => (el.style.display = "none")); 91 | } else { 92 | el.src = `${el.src.substr(0, el.src.length - 8)}minus.png`; 93 | toggledRows.forEach((el) => (el.style.display = "")); 94 | } 95 | }; 96 | 97 | const togglerElements = document.querySelectorAll("img.toggler"); 98 | togglerElements.forEach((el) => 99 | el.addEventListener("click", (event) => toggler(event.currentTarget)) 100 | ); 101 | togglerElements.forEach((el) => (el.style.display = "")); 102 | if (DOCUMENTATION_OPTIONS.COLLAPSE_INDEX) togglerElements.forEach(toggler); 103 | }, 104 | 105 | initOnKeyListeners: () => { 106 | // only install a listener if it is really needed 107 | if ( 108 | !DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS && 109 | !DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS 110 | ) 111 | return; 112 | 113 | document.addEventListener("keydown", (event) => { 114 | // bail for input elements 115 | if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; 116 | // bail with special keys 117 | if (event.altKey || event.ctrlKey || event.metaKey) return; 118 | 119 | if (!event.shiftKey) { 120 | switch (event.key) { 121 | case "ArrowLeft": 122 | if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; 123 | 124 | const prevLink = document.querySelector('link[rel="prev"]'); 125 | if (prevLink && prevLink.href) { 126 | window.location.href = prevLink.href; 127 | event.preventDefault(); 128 | } 129 | break; 130 | case "ArrowRight": 131 | if (!DOCUMENTATION_OPTIONS.NAVIGATION_WITH_KEYS) break; 132 | 133 | const nextLink = document.querySelector('link[rel="next"]'); 134 | if (nextLink && nextLink.href) { 135 | window.location.href = nextLink.href; 136 | event.preventDefault(); 137 | } 138 | break; 139 | } 140 | } 141 | 142 | // some keyboard layouts may need Shift to get / 143 | switch (event.key) { 144 | case "/": 145 | if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) break; 146 | Documentation.focusSearchBar(); 147 | event.preventDefault(); 148 | } 149 | }); 150 | }, 151 | }; 152 | 153 | // quick alias for translations 154 | const _ = Documentation.gettext; 155 | 156 | _ready(Documentation.init); 157 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/documentation_options.js: -------------------------------------------------------------------------------- 1 | const DOCUMENTATION_OPTIONS = { 2 | VERSION: '', 3 | LANGUAGE: 'en', 4 | COLLAPSE_INDEX: false, 5 | BUILDER: 'html', 6 | FILE_SUFFIX: '.html', 7 | LINK_SUFFIX: '.html', 8 | HAS_SOURCE: true, 9 | SOURCELINK_SUFFIX: '', 10 | NAVIGATION_WITH_KEYS: false, 11 | SHOW_SEARCH_SUMMARY: true, 12 | ENABLE_SEARCH_SHORTCUTS: true, 13 | }; -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/file.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/file.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/images/logo_binder.svg: -------------------------------------------------------------------------------- 1 | 2 | 3 | 5 | 10 | logo 11 | 12 | 13 | 15 | 16 | 17 | 18 | 19 | 20 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/images/logo_colab.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/images/logo_colab.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/images/logo_deepnote.svg: -------------------------------------------------------------------------------- 1 | 2 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/images/logo_jupyterhub.svg: -------------------------------------------------------------------------------- 1 | logo_jupyterhubHub 2 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/language_data.js: -------------------------------------------------------------------------------- 1 | /* 2 | * language_data.js 3 | * ~~~~~~~~~~~~~~~~ 4 | * 5 | * This script contains the language-specific data used by searchtools.js, 6 | * namely the list of stopwords, stemmer, scorer and splitter. 7 | * 8 | * :copyright: Copyright 2007-2024 by the Sphinx team, see AUTHORS. 9 | * :license: BSD, see LICENSE for details. 10 | * 11 | */ 12 | 13 | var stopwords = ["a", "and", "are", "as", "at", "be", "but", "by", "for", "if", "in", "into", "is", "it", "near", "no", "not", "of", "on", "or", "such", "that", "the", "their", "then", "there", "these", "they", "this", "to", "was", "will", "with"]; 14 | 15 | 16 | /* Non-minified version is copied as a separate JS file, if available */ 17 | 18 | /** 19 | * Porter Stemmer 20 | */ 21 | var Stemmer = function() { 22 | 23 | var step2list = { 24 | ational: 'ate', 25 | tional: 'tion', 26 | enci: 'ence', 27 | anci: 'ance', 28 | izer: 'ize', 29 | bli: 'ble', 30 | alli: 'al', 31 | entli: 'ent', 32 | eli: 'e', 33 | ousli: 'ous', 34 | ization: 'ize', 35 | ation: 'ate', 36 | ator: 'ate', 37 | alism: 'al', 38 | iveness: 'ive', 39 | fulness: 'ful', 40 | ousness: 'ous', 41 | aliti: 'al', 42 | iviti: 'ive', 43 | biliti: 'ble', 44 | logi: 'log' 45 | }; 46 | 47 | var step3list = { 48 | icate: 'ic', 49 | ative: '', 50 | alize: 'al', 51 | iciti: 'ic', 52 | ical: 'ic', 53 | ful: '', 54 | ness: '' 55 | }; 56 | 57 | var c = "[^aeiou]"; // consonant 58 | var v = "[aeiouy]"; // vowel 59 | var C = c + "[^aeiouy]*"; // consonant sequence 60 | var V = v + "[aeiou]*"; // vowel sequence 61 | 62 | var mgr0 = "^(" + C + ")?" + V + C; // [C]VC... is m>0 63 | var meq1 = "^(" + C + ")?" + V + C + "(" + V + ")?$"; // [C]VC[V] is m=1 64 | var mgr1 = "^(" + C + ")?" + V + C + V + C; // [C]VCVC... is m>1 65 | var s_v = "^(" + C + ")?" + v; // vowel in stem 66 | 67 | this.stemWord = function (w) { 68 | var stem; 69 | var suffix; 70 | var firstch; 71 | var origword = w; 72 | 73 | if (w.length < 3) 74 | return w; 75 | 76 | var re; 77 | var re2; 78 | var re3; 79 | var re4; 80 | 81 | firstch = w.substr(0,1); 82 | if (firstch == "y") 83 | w = firstch.toUpperCase() + w.substr(1); 84 | 85 | // Step 1a 86 | re = /^(.+?)(ss|i)es$/; 87 | re2 = /^(.+?)([^s])s$/; 88 | 89 | if (re.test(w)) 90 | w = w.replace(re,"$1$2"); 91 | else if (re2.test(w)) 92 | w = w.replace(re2,"$1$2"); 93 | 94 | // Step 1b 95 | re = /^(.+?)eed$/; 96 | re2 = /^(.+?)(ed|ing)$/; 97 | if (re.test(w)) { 98 | var fp = re.exec(w); 99 | re = new RegExp(mgr0); 100 | if (re.test(fp[1])) { 101 | re = /.$/; 102 | w = w.replace(re,""); 103 | } 104 | } 105 | else if (re2.test(w)) { 106 | var fp = re2.exec(w); 107 | stem = fp[1]; 108 | re2 = new RegExp(s_v); 109 | if (re2.test(stem)) { 110 | w = stem; 111 | re2 = /(at|bl|iz)$/; 112 | re3 = new RegExp("([^aeiouylsz])\\1$"); 113 | re4 = new RegExp("^" + C + v + "[^aeiouwxy]$"); 114 | if (re2.test(w)) 115 | w = w + "e"; 116 | else if (re3.test(w)) { 117 | re = /.$/; 118 | w = w.replace(re,""); 119 | } 120 | else if (re4.test(w)) 121 | w = w + "e"; 122 | } 123 | } 124 | 125 | // Step 1c 126 | re = /^(.+?)y$/; 127 | if (re.test(w)) { 128 | var fp = re.exec(w); 129 | stem = fp[1]; 130 | re = new RegExp(s_v); 131 | if (re.test(stem)) 132 | w = stem + "i"; 133 | } 134 | 135 | // Step 2 136 | re = /^(.+?)(ational|tional|enci|anci|izer|bli|alli|entli|eli|ousli|ization|ation|ator|alism|iveness|fulness|ousness|aliti|iviti|biliti|logi)$/; 137 | if (re.test(w)) { 138 | var fp = re.exec(w); 139 | stem = fp[1]; 140 | suffix = fp[2]; 141 | re = new RegExp(mgr0); 142 | if (re.test(stem)) 143 | w = stem + step2list[suffix]; 144 | } 145 | 146 | // Step 3 147 | re = /^(.+?)(icate|ative|alize|iciti|ical|ful|ness)$/; 148 | if (re.test(w)) { 149 | var fp = re.exec(w); 150 | stem = fp[1]; 151 | suffix = fp[2]; 152 | re = new RegExp(mgr0); 153 | if (re.test(stem)) 154 | w = stem + step3list[suffix]; 155 | } 156 | 157 | // Step 4 158 | re = /^(.+?)(al|ance|ence|er|ic|able|ible|ant|ement|ment|ent|ou|ism|ate|iti|ous|ive|ize)$/; 159 | re2 = /^(.+?)(s|t)(ion)$/; 160 | if (re.test(w)) { 161 | var fp = re.exec(w); 162 | stem = fp[1]; 163 | re = new RegExp(mgr1); 164 | if (re.test(stem)) 165 | w = stem; 166 | } 167 | else if (re2.test(w)) { 168 | var fp = re2.exec(w); 169 | stem = fp[1] + fp[2]; 170 | re2 = new RegExp(mgr1); 171 | if (re2.test(stem)) 172 | w = stem; 173 | } 174 | 175 | // Step 5 176 | re = /^(.+?)e$/; 177 | if (re.test(w)) { 178 | var fp = re.exec(w); 179 | stem = fp[1]; 180 | re = new RegExp(mgr1); 181 | re2 = new RegExp(meq1); 182 | re3 = new RegExp("^" + C + v + "[^aeiouwxy]$"); 183 | if (re.test(stem) || (re2.test(stem) && !(re3.test(stem)))) 184 | w = stem; 185 | } 186 | re = /ll$/; 187 | re2 = new RegExp(mgr1); 188 | if (re.test(w) && re2.test(w)) { 189 | re = /.$/; 190 | w = w.replace(re,""); 191 | } 192 | 193 | // and turn initial Y back to y 194 | if (firstch == "y") 195 | w = firstch.toLowerCase() + w.substr(1); 196 | return w; 197 | } 198 | } 199 | 200 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ar/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ar\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "طباعة إلى PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "موضوع بواسطة" 16 | 17 | msgid "Download source file" 18 | msgstr "تنزيل ملف المصدر" 19 | 20 | msgid "open issue" 21 | msgstr "قضية مفتوحة" 22 | 23 | msgid "Contents" 24 | msgstr "محتويات" 25 | 26 | msgid "previous page" 27 | msgstr "الصفحة السابقة" 28 | 29 | msgid "Download notebook file" 30 | msgstr "تنزيل ملف دفتر الملاحظات" 31 | 32 | msgid "Copyright" 33 | msgstr "حقوق النشر" 34 | 35 | msgid "Download this page" 36 | msgstr "قم بتنزيل هذه الصفحة" 37 | 38 | msgid "Source repository" 39 | msgstr "مستودع المصدر" 40 | 41 | msgid "By" 42 | msgstr "بواسطة" 43 | 44 | msgid "repository" 45 | msgstr "مخزن" 46 | 47 | msgid "Last updated on" 48 | msgstr "آخر تحديث في" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "تبديل التنقل" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "موضوع كتاب أبو الهول" 55 | 56 | msgid "suggest edit" 57 | msgstr "أقترح تحرير" 58 | 59 | msgid "Open an issue" 60 | msgstr "افتح قضية" 61 | 62 | msgid "Launch" 63 | msgstr "إطلاق" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "وضع ملء الشاشة" 67 | 68 | msgid "Edit this page" 69 | msgstr "قم بتحرير هذه الصفحة" 70 | 71 | msgid "By the" 72 | msgstr "بواسطة" 73 | 74 | msgid "next page" 75 | msgstr "الصفحة التالية" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/bg/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: bg\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Печат в PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Тема от" 16 | 17 | msgid "Download source file" 18 | msgstr "Изтеглете изходния файл" 19 | 20 | msgid "open issue" 21 | msgstr "отворен брой" 22 | 23 | msgid "Contents" 24 | msgstr "Съдържание" 25 | 26 | msgid "previous page" 27 | msgstr "предишна страница" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Изтеглете файла на бележника" 31 | 32 | msgid "Copyright" 33 | msgstr "Авторско право" 34 | 35 | msgid "Download this page" 36 | msgstr "Изтеглете тази страница" 37 | 38 | msgid "Source repository" 39 | msgstr "Хранилище на източника" 40 | 41 | msgid "By" 42 | msgstr "От" 43 | 44 | msgid "repository" 45 | msgstr "хранилище" 46 | 47 | msgid "Last updated on" 48 | msgstr "Последна актуализация на" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Превключване на навигацията" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Тема на книгата Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "предложи редактиране" 58 | 59 | msgid "Open an issue" 60 | msgstr "Отворете проблем" 61 | 62 | msgid "Launch" 63 | msgstr "Стартиране" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Режим на цял екран" 67 | 68 | msgid "Edit this page" 69 | msgstr "Редактирайте тази страница" 70 | 71 | msgid "By the" 72 | msgstr "По" 73 | 74 | msgid "next page" 75 | msgstr "Следваща страница" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/bn/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: bn\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "পিডিএফ প্রিন্ট করুন" 13 | 14 | msgid "Theme by the" 15 | msgstr "থিম দ্বারা" 16 | 17 | msgid "Download source file" 18 | msgstr "উত্স ফাইল ডাউনলোড করুন" 19 | 20 | msgid "open issue" 21 | msgstr "খোলা সমস্যা" 22 | 23 | msgid "previous page" 24 | msgstr "আগের পৃষ্ঠা" 25 | 26 | msgid "Download notebook file" 27 | msgstr "নোটবুক ফাইল ডাউনলোড করুন" 28 | 29 | msgid "Copyright" 30 | msgstr "কপিরাইট" 31 | 32 | msgid "Download this page" 33 | msgstr "এই পৃষ্ঠাটি ডাউনলোড করুন" 34 | 35 | msgid "Source repository" 36 | msgstr "উত্স সংগ্রহস্থল" 37 | 38 | msgid "By" 39 | msgstr "দ্বারা" 40 | 41 | msgid "Last updated on" 42 | msgstr "সর্বশেষ আপডেট" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "নেভিগেশন টগল করুন" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "স্পিনিক্স বুক থিম" 49 | 50 | msgid "Open an issue" 51 | msgstr "একটি সমস্যা খুলুন" 52 | 53 | msgid "Launch" 54 | msgstr "শুরু করা" 55 | 56 | msgid "Edit this page" 57 | msgstr "এই পৃষ্ঠাটি সম্পাদনা করুন" 58 | 59 | msgid "By the" 60 | msgstr "দ্বারা" 61 | 62 | msgid "next page" 63 | msgstr "পরবর্তী পৃষ্ঠা" 64 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ca/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ca\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Imprimeix a PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema del" 16 | 17 | msgid "Download source file" 18 | msgstr "Baixeu el fitxer font" 19 | 20 | msgid "open issue" 21 | msgstr "número obert" 22 | 23 | msgid "previous page" 24 | msgstr "Pàgina anterior" 25 | 26 | msgid "Download notebook file" 27 | msgstr "Descarregar fitxer de quadern" 28 | 29 | msgid "Copyright" 30 | msgstr "Copyright" 31 | 32 | msgid "Download this page" 33 | msgstr "Descarregueu aquesta pàgina" 34 | 35 | msgid "Source repository" 36 | msgstr "Dipòsit de fonts" 37 | 38 | msgid "By" 39 | msgstr "Per" 40 | 41 | msgid "Last updated on" 42 | msgstr "Darrera actualització el" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "Commuta la navegació" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "Tema del llibre Esfinx" 49 | 50 | msgid "suggest edit" 51 | msgstr "suggerir edició" 52 | 53 | msgid "Open an issue" 54 | msgstr "Obriu un número" 55 | 56 | msgid "Launch" 57 | msgstr "Llançament" 58 | 59 | msgid "Edit this page" 60 | msgstr "Editeu aquesta pàgina" 61 | 62 | msgid "By the" 63 | msgstr "Per la" 64 | 65 | msgid "next page" 66 | msgstr "pàgina següent" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/cs/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: cs\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Tisk do PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Téma od" 16 | 17 | msgid "Download source file" 18 | msgstr "Stáhněte si zdrojový soubor" 19 | 20 | msgid "open issue" 21 | msgstr "otevřené číslo" 22 | 23 | msgid "Contents" 24 | msgstr "Obsah" 25 | 26 | msgid "previous page" 27 | msgstr "předchozí stránka" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Stáhnout soubor poznámkového bloku" 31 | 32 | msgid "Copyright" 33 | msgstr "autorská práva" 34 | 35 | msgid "Download this page" 36 | msgstr "Stáhněte si tuto stránku" 37 | 38 | msgid "Source repository" 39 | msgstr "Zdrojové úložiště" 40 | 41 | msgid "By" 42 | msgstr "Podle" 43 | 44 | msgid "repository" 45 | msgstr "úložiště" 46 | 47 | msgid "Last updated on" 48 | msgstr "Naposledy aktualizováno" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Přepnout navigaci" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Téma knihy Sfinga" 55 | 56 | msgid "suggest edit" 57 | msgstr "navrhnout úpravy" 58 | 59 | msgid "Open an issue" 60 | msgstr "Otevřete problém" 61 | 62 | msgid "Launch" 63 | msgstr "Zahájení" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Režim celé obrazovky" 67 | 68 | msgid "Edit this page" 69 | msgstr "Upravit tuto stránku" 70 | 71 | msgid "By the" 72 | msgstr "Podle" 73 | 74 | msgid "next page" 75 | msgstr "další strana" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/da/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: da\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Udskriv til PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema af" 16 | 17 | msgid "Download source file" 18 | msgstr "Download kildefil" 19 | 20 | msgid "open issue" 21 | msgstr "åbent nummer" 22 | 23 | msgid "Contents" 24 | msgstr "Indhold" 25 | 26 | msgid "previous page" 27 | msgstr "forrige side" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Download notesbog-fil" 31 | 32 | msgid "Copyright" 33 | msgstr "ophavsret" 34 | 35 | msgid "Download this page" 36 | msgstr "Download denne side" 37 | 38 | msgid "Source repository" 39 | msgstr "Kildelager" 40 | 41 | msgid "By" 42 | msgstr "Ved" 43 | 44 | msgid "repository" 45 | msgstr "lager" 46 | 47 | msgid "Last updated on" 48 | msgstr "Sidst opdateret den" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Skift navigation" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx bogtema" 55 | 56 | msgid "suggest edit" 57 | msgstr "foreslå redigering" 58 | 59 | msgid "Open an issue" 60 | msgstr "Åbn et problem" 61 | 62 | msgid "Launch" 63 | msgstr "Start" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Fuldskærmstilstand" 67 | 68 | msgid "Edit this page" 69 | msgstr "Rediger denne side" 70 | 71 | msgid "By the" 72 | msgstr "Ved" 73 | 74 | msgid "next page" 75 | msgstr "Næste side" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/de/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: de\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "In PDF drucken" 13 | 14 | msgid "Theme by the" 15 | msgstr "Thema von der" 16 | 17 | msgid "Download source file" 18 | msgstr "Quelldatei herunterladen" 19 | 20 | msgid "open issue" 21 | msgstr "offenes Thema" 22 | 23 | msgid "Contents" 24 | msgstr "Inhalt" 25 | 26 | msgid "previous page" 27 | msgstr "vorherige Seite" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Notebook-Datei herunterladen" 31 | 32 | msgid "Copyright" 33 | msgstr "Urheberrechte ©" 34 | 35 | msgid "Download this page" 36 | msgstr "Laden Sie diese Seite herunter" 37 | 38 | msgid "Source repository" 39 | msgstr "Quell-Repository" 40 | 41 | msgid "By" 42 | msgstr "Durch" 43 | 44 | msgid "repository" 45 | msgstr "Repository" 46 | 47 | msgid "Last updated on" 48 | msgstr "Zuletzt aktualisiert am" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Navigation umschalten" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx-Buch-Thema" 55 | 56 | msgid "suggest edit" 57 | msgstr "vorschlagen zu bearbeiten" 58 | 59 | msgid "Open an issue" 60 | msgstr "Öffnen Sie ein Problem" 61 | 62 | msgid "Launch" 63 | msgstr "Starten" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Vollbildmodus" 67 | 68 | msgid "Edit this page" 69 | msgstr "Bearbeite diese Seite" 70 | 71 | msgid "By the" 72 | msgstr "Bis zum" 73 | 74 | msgid "next page" 75 | msgstr "Nächste Seite" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/el/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: el\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Εκτύπωση σε PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Θέμα από το" 16 | 17 | msgid "Download source file" 18 | msgstr "Λήψη αρχείου προέλευσης" 19 | 20 | msgid "open issue" 21 | msgstr "ανοιχτό ζήτημα" 22 | 23 | msgid "Contents" 24 | msgstr "Περιεχόμενα" 25 | 26 | msgid "previous page" 27 | msgstr "προηγούμενη σελίδα" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Λήψη αρχείου σημειωματάριου" 31 | 32 | msgid "Copyright" 33 | msgstr "Πνευματική ιδιοκτησία" 34 | 35 | msgid "Download this page" 36 | msgstr "Λήψη αυτής της σελίδας" 37 | 38 | msgid "Source repository" 39 | msgstr "Αποθήκη πηγής" 40 | 41 | msgid "By" 42 | msgstr "Με" 43 | 44 | msgid "repository" 45 | msgstr "αποθήκη" 46 | 47 | msgid "Last updated on" 48 | msgstr "Τελευταία ενημέρωση στις" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Εναλλαγή πλοήγησης" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Θέμα βιβλίου Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "προτείνω επεξεργασία" 58 | 59 | msgid "Open an issue" 60 | msgstr "Ανοίξτε ένα ζήτημα" 61 | 62 | msgid "Launch" 63 | msgstr "Εκτόξευση" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "ΛΕΙΤΟΥΡΓΙΑ ΠΛΗΡΟΥΣ ΟΘΟΝΗΣ" 67 | 68 | msgid "Edit this page" 69 | msgstr "Επεξεργαστείτε αυτήν τη σελίδα" 70 | 71 | msgid "By the" 72 | msgstr "Από το" 73 | 74 | msgid "next page" 75 | msgstr "επόμενη σελίδα" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/eo/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: eo\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Presi al PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Temo de la" 16 | 17 | msgid "Download source file" 18 | msgstr "Elŝutu fontodosieron" 19 | 20 | msgid "open issue" 21 | msgstr "malferma numero" 22 | 23 | msgid "Contents" 24 | msgstr "Enhavo" 25 | 26 | msgid "previous page" 27 | msgstr "antaŭa paĝo" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Elŝutu kajeran dosieron" 31 | 32 | msgid "Copyright" 33 | msgstr "Kopirajto" 34 | 35 | msgid "Download this page" 36 | msgstr "Elŝutu ĉi tiun paĝon" 37 | 38 | msgid "Source repository" 39 | msgstr "Fonto-deponejo" 40 | 41 | msgid "By" 42 | msgstr "De" 43 | 44 | msgid "repository" 45 | msgstr "deponejo" 46 | 47 | msgid "Last updated on" 48 | msgstr "Laste ĝisdatigita la" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Ŝalti navigadon" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sfinksa Libro-Temo" 55 | 56 | msgid "suggest edit" 57 | msgstr "sugesti redaktadon" 58 | 59 | msgid "Open an issue" 60 | msgstr "Malfermu numeron" 61 | 62 | msgid "Launch" 63 | msgstr "Lanĉo" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Plenekrana reĝimo" 67 | 68 | msgid "Edit this page" 69 | msgstr "Redaktu ĉi tiun paĝon" 70 | 71 | msgid "By the" 72 | msgstr "Per la" 73 | 74 | msgid "next page" 75 | msgstr "sekva paĝo" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/es/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: es\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Imprimir en PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema por el" 16 | 17 | msgid "Download source file" 18 | msgstr "Descargar archivo fuente" 19 | 20 | msgid "open issue" 21 | msgstr "Tema abierto" 22 | 23 | msgid "Contents" 24 | msgstr "Contenido" 25 | 26 | msgid "previous page" 27 | msgstr "pagina anterior" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Descargar archivo de cuaderno" 31 | 32 | msgid "Copyright" 33 | msgstr "Derechos de autor" 34 | 35 | msgid "Download this page" 36 | msgstr "Descarga esta pagina" 37 | 38 | msgid "Source repository" 39 | msgstr "Repositorio de origen" 40 | 41 | msgid "By" 42 | msgstr "Por" 43 | 44 | msgid "repository" 45 | msgstr "repositorio" 46 | 47 | msgid "Last updated on" 48 | msgstr "Ultima actualización en" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Navegación de palanca" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema del libro de la esfinge" 55 | 56 | msgid "suggest edit" 57 | msgstr "sugerir editar" 58 | 59 | msgid "Open an issue" 60 | msgstr "Abrir un problema" 61 | 62 | msgid "Launch" 63 | msgstr "Lanzamiento" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Modo de pantalla completa" 67 | 68 | msgid "Edit this page" 69 | msgstr "Edita esta página" 70 | 71 | msgid "By the" 72 | msgstr "Por el" 73 | 74 | msgid "next page" 75 | msgstr "siguiente página" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/et/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: et\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Prindi PDF-i" 13 | 14 | msgid "Theme by the" 15 | msgstr "Teema" 16 | 17 | msgid "Download source file" 18 | msgstr "Laadige alla lähtefail" 19 | 20 | msgid "open issue" 21 | msgstr "avatud küsimus" 22 | 23 | msgid "Contents" 24 | msgstr "Sisu" 25 | 26 | msgid "previous page" 27 | msgstr "eelmine leht" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Laadige sülearvuti fail alla" 31 | 32 | msgid "Copyright" 33 | msgstr "Autoriõigus" 34 | 35 | msgid "Download this page" 36 | msgstr "Laadige see leht alla" 37 | 38 | msgid "Source repository" 39 | msgstr "Allikahoidla" 40 | 41 | msgid "By" 42 | msgstr "Kõrval" 43 | 44 | msgid "repository" 45 | msgstr "hoidla" 46 | 47 | msgid "Last updated on" 48 | msgstr "Viimati uuendatud" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Lülita navigeerimine sisse" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sfinksiraamatu teema" 55 | 56 | msgid "suggest edit" 57 | msgstr "soovita muuta" 58 | 59 | msgid "Open an issue" 60 | msgstr "Avage probleem" 61 | 62 | msgid "Launch" 63 | msgstr "Käivitage" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Täisekraanirežiim" 67 | 68 | msgid "Edit this page" 69 | msgstr "Muutke seda lehte" 70 | 71 | msgid "By the" 72 | msgstr "Autor" 73 | 74 | msgid "next page" 75 | msgstr "järgmine leht" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/fi/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: fi\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Tulosta PDF-tiedostoon" 13 | 14 | msgid "Theme by the" 15 | msgstr "Teeman tekijä" 16 | 17 | msgid "Download source file" 18 | msgstr "Lataa lähdetiedosto" 19 | 20 | msgid "open issue" 21 | msgstr "avoin ongelma" 22 | 23 | msgid "Contents" 24 | msgstr "Sisällys" 25 | 26 | msgid "previous page" 27 | msgstr "Edellinen sivu" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Lataa muistikirjatiedosto" 31 | 32 | msgid "Copyright" 33 | msgstr "Tekijänoikeus" 34 | 35 | msgid "Download this page" 36 | msgstr "Lataa tämä sivu" 37 | 38 | msgid "Source repository" 39 | msgstr "Lähteen arkisto" 40 | 41 | msgid "By" 42 | msgstr "Tekijä" 43 | 44 | msgid "repository" 45 | msgstr "arkisto" 46 | 47 | msgid "Last updated on" 48 | msgstr "Viimeksi päivitetty" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Vaihda navigointia" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx-kirjan teema" 55 | 56 | msgid "suggest edit" 57 | msgstr "ehdottaa muokkausta" 58 | 59 | msgid "Open an issue" 60 | msgstr "Avaa ongelma" 61 | 62 | msgid "Launch" 63 | msgstr "Tuoda markkinoille" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Koko näytön tila" 67 | 68 | msgid "Edit this page" 69 | msgstr "Muokkaa tätä sivua" 70 | 71 | msgid "By the" 72 | msgstr "Mukaan" 73 | 74 | msgid "next page" 75 | msgstr "seuraava sivu" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/fr/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: fr\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Imprimer au format PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Thème par le" 16 | 17 | msgid "Download source file" 18 | msgstr "Télécharger le fichier source" 19 | 20 | msgid "open issue" 21 | msgstr "signaler un problème" 22 | 23 | msgid "Contents" 24 | msgstr "Contenu" 25 | 26 | msgid "previous page" 27 | msgstr "page précédente" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Télécharger le fichier notebook" 31 | 32 | msgid "Copyright" 33 | msgstr "droits d'auteur" 34 | 35 | msgid "Download this page" 36 | msgstr "Téléchargez cette page" 37 | 38 | msgid "Source repository" 39 | msgstr "Dépôt source" 40 | 41 | msgid "By" 42 | msgstr "Par" 43 | 44 | msgid "repository" 45 | msgstr "dépôt" 46 | 47 | msgid "Last updated on" 48 | msgstr "Dernière mise à jour le" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Basculer la navigation" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Thème du livre Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "suggestion de modification" 58 | 59 | msgid "Open an issue" 60 | msgstr "Ouvrez un problème" 61 | 62 | msgid "Launch" 63 | msgstr "lancement" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Mode plein écran" 67 | 68 | msgid "Edit this page" 69 | msgstr "Modifier cette page" 70 | 71 | msgid "By the" 72 | msgstr "Par le" 73 | 74 | msgid "next page" 75 | msgstr "page suivante" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/hr/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: hr\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Ispis u PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema autora" 16 | 17 | msgid "Download source file" 18 | msgstr "Preuzmi izvornu datoteku" 19 | 20 | msgid "open issue" 21 | msgstr "otvoreno izdanje" 22 | 23 | msgid "Contents" 24 | msgstr "Sadržaj" 25 | 26 | msgid "previous page" 27 | msgstr "Prethodna stranica" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Preuzmi datoteku bilježnice" 31 | 32 | msgid "Copyright" 33 | msgstr "Autorska prava" 34 | 35 | msgid "Download this page" 36 | msgstr "Preuzmite ovu stranicu" 37 | 38 | msgid "Source repository" 39 | msgstr "Izvorno spremište" 40 | 41 | msgid "By" 42 | msgstr "Po" 43 | 44 | msgid "repository" 45 | msgstr "spremište" 46 | 47 | msgid "Last updated on" 48 | msgstr "Posljednje ažuriranje:" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Uključi / isključi navigaciju" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema knjige Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "predloži uređivanje" 58 | 59 | msgid "Open an issue" 60 | msgstr "Otvorite izdanje" 61 | 62 | msgid "Launch" 63 | msgstr "Pokrenite" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Način preko cijelog zaslona" 67 | 68 | msgid "Edit this page" 69 | msgstr "Uredite ovu stranicu" 70 | 71 | msgid "By the" 72 | msgstr "Od strane" 73 | 74 | msgid "next page" 75 | msgstr "sljedeća stranica" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/id/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: id\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Cetak ke PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema oleh" 16 | 17 | msgid "Download source file" 18 | msgstr "Unduh file sumber" 19 | 20 | msgid "open issue" 21 | msgstr "masalah terbuka" 22 | 23 | msgid "Contents" 24 | msgstr "Isi" 25 | 26 | msgid "previous page" 27 | msgstr "halaman sebelumnya" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Unduh file notebook" 31 | 32 | msgid "Copyright" 33 | msgstr "hak cipta" 34 | 35 | msgid "Download this page" 36 | msgstr "Unduh halaman ini" 37 | 38 | msgid "Source repository" 39 | msgstr "Repositori sumber" 40 | 41 | msgid "By" 42 | msgstr "Oleh" 43 | 44 | msgid "repository" 45 | msgstr "gudang" 46 | 47 | msgid "Last updated on" 48 | msgstr "Terakhir diperbarui saat" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Alihkan navigasi" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema Buku Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "menyarankan edit" 58 | 59 | msgid "Open an issue" 60 | msgstr "Buka masalah" 61 | 62 | msgid "Launch" 63 | msgstr "Meluncurkan" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Mode layar penuh" 67 | 68 | msgid "Edit this page" 69 | msgstr "Edit halaman ini" 70 | 71 | msgid "By the" 72 | msgstr "Oleh" 73 | 74 | msgid "next page" 75 | msgstr "halaman selanjutnya" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/it/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: it\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Stampa in PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema di" 16 | 17 | msgid "Download source file" 18 | msgstr "Scarica il file sorgente" 19 | 20 | msgid "open issue" 21 | msgstr "questione aperta" 22 | 23 | msgid "Contents" 24 | msgstr "Contenuti" 25 | 26 | msgid "previous page" 27 | msgstr "pagina precedente" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Scarica il file del taccuino" 31 | 32 | msgid "Copyright" 33 | msgstr "Diritto d'autore" 34 | 35 | msgid "Download this page" 36 | msgstr "Scarica questa pagina" 37 | 38 | msgid "Source repository" 39 | msgstr "Repository di origine" 40 | 41 | msgid "By" 42 | msgstr "Di" 43 | 44 | msgid "repository" 45 | msgstr "repository" 46 | 47 | msgid "Last updated on" 48 | msgstr "Ultimo aggiornamento il" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Attiva / disattiva la navigazione" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema del libro della Sfinge" 55 | 56 | msgid "suggest edit" 57 | msgstr "suggerisci modifica" 58 | 59 | msgid "Open an issue" 60 | msgstr "Apri un problema" 61 | 62 | msgid "Launch" 63 | msgstr "Lanciare" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Modalità schermo intero" 67 | 68 | msgid "Edit this page" 69 | msgstr "Modifica questa pagina" 70 | 71 | msgid "By the" 72 | msgstr "Dal" 73 | 74 | msgid "next page" 75 | msgstr "pagina successiva" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/iw/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: iw\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "הדפס לקובץ PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "נושא מאת" 16 | 17 | msgid "Download source file" 18 | msgstr "הורד את קובץ המקור" 19 | 20 | msgid "open issue" 21 | msgstr "בעיה פתוחה" 22 | 23 | msgid "Contents" 24 | msgstr "תוכן" 25 | 26 | msgid "previous page" 27 | msgstr "עמוד קודם" 28 | 29 | msgid "Download notebook file" 30 | msgstr "הורד קובץ מחברת" 31 | 32 | msgid "Copyright" 33 | msgstr "זכויות יוצרים" 34 | 35 | msgid "Download this page" 36 | msgstr "הורד דף זה" 37 | 38 | msgid "Source repository" 39 | msgstr "מאגר המקורות" 40 | 41 | msgid "By" 42 | msgstr "על ידי" 43 | 44 | msgid "repository" 45 | msgstr "מאגר" 46 | 47 | msgid "Last updated on" 48 | msgstr "עודכן לאחרונה ב" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "החלף ניווט" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "נושא ספר ספינקס" 55 | 56 | msgid "suggest edit" 57 | msgstr "מציע לערוך" 58 | 59 | msgid "Open an issue" 60 | msgstr "פתח גיליון" 61 | 62 | msgid "Launch" 63 | msgstr "לְהַשִׁיק" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "מצב מסך מלא" 67 | 68 | msgid "Edit this page" 69 | msgstr "ערוך דף זה" 70 | 71 | msgid "By the" 72 | msgstr "דרך" 73 | 74 | msgid "next page" 75 | msgstr "עמוד הבא" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ja/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ja\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "PDFに印刷" 13 | 14 | msgid "Theme by the" 15 | msgstr "のテーマ" 16 | 17 | msgid "Download source file" 18 | msgstr "ソースファイルをダウンロード" 19 | 20 | msgid "open issue" 21 | msgstr "未解決の問題" 22 | 23 | msgid "Contents" 24 | msgstr "目次" 25 | 26 | msgid "previous page" 27 | msgstr "前のページ" 28 | 29 | msgid "Download notebook file" 30 | msgstr "ノートブックファイルをダウンロード" 31 | 32 | msgid "Copyright" 33 | msgstr "Copyright" 34 | 35 | msgid "Download this page" 36 | msgstr "このページをダウンロード" 37 | 38 | msgid "Source repository" 39 | msgstr "ソースリポジトリ" 40 | 41 | msgid "By" 42 | msgstr "著者" 43 | 44 | msgid "repository" 45 | msgstr "リポジトリ" 46 | 47 | msgid "Last updated on" 48 | msgstr "最終更新日" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "ナビゲーションを切り替え" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "スフィンクスの本のテーマ" 55 | 56 | msgid "suggest edit" 57 | msgstr "編集を提案する" 58 | 59 | msgid "Open an issue" 60 | msgstr "問題を報告" 61 | 62 | msgid "Launch" 63 | msgstr "起動" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "全画面モード" 67 | 68 | msgid "Edit this page" 69 | msgstr "このページを編集" 70 | 71 | msgid "By the" 72 | msgstr "によって" 73 | 74 | msgid "next page" 75 | msgstr "次のページ" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ko/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ko\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "PDF로 인쇄" 13 | 14 | msgid "Theme by the" 15 | msgstr "테마별" 16 | 17 | msgid "Download source file" 18 | msgstr "소스 파일 다운로드" 19 | 20 | msgid "open issue" 21 | msgstr "열린 문제" 22 | 23 | msgid "Contents" 24 | msgstr "내용" 25 | 26 | msgid "previous page" 27 | msgstr "이전 페이지" 28 | 29 | msgid "Download notebook file" 30 | msgstr "노트북 파일 다운로드" 31 | 32 | msgid "Copyright" 33 | msgstr "저작권" 34 | 35 | msgid "Download this page" 36 | msgstr "이 페이지 다운로드" 37 | 38 | msgid "Source repository" 39 | msgstr "소스 저장소" 40 | 41 | msgid "By" 42 | msgstr "으로" 43 | 44 | msgid "repository" 45 | msgstr "저장소" 46 | 47 | msgid "Last updated on" 48 | msgstr "마지막 업데이트" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "탐색 전환" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "스핑크스 도서 테마" 55 | 56 | msgid "suggest edit" 57 | msgstr "편집 제안" 58 | 59 | msgid "Open an issue" 60 | msgstr "이슈 열기" 61 | 62 | msgid "Launch" 63 | msgstr "시작하다" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "전체 화면으로보기" 67 | 68 | msgid "Edit this page" 69 | msgstr "이 페이지 편집" 70 | 71 | msgid "By the" 72 | msgstr "에 의해" 73 | 74 | msgid "next page" 75 | msgstr "다음 페이지" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/lt/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: lt\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Spausdinti į PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema" 16 | 17 | msgid "Download source file" 18 | msgstr "Atsisiųsti šaltinio failą" 19 | 20 | msgid "open issue" 21 | msgstr "atviras klausimas" 22 | 23 | msgid "Contents" 24 | msgstr "Turinys" 25 | 26 | msgid "previous page" 27 | msgstr "Ankstesnis puslapis" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Atsisiųsti nešiojamojo kompiuterio failą" 31 | 32 | msgid "Copyright" 33 | msgstr "Autorių teisės" 34 | 35 | msgid "Download this page" 36 | msgstr "Atsisiųskite šį puslapį" 37 | 38 | msgid "Source repository" 39 | msgstr "Šaltinio saugykla" 40 | 41 | msgid "By" 42 | msgstr "Iki" 43 | 44 | msgid "repository" 45 | msgstr "saugykla" 46 | 47 | msgid "Last updated on" 48 | msgstr "Paskutinį kartą atnaujinta" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Perjungti naršymą" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sfinkso knygos tema" 55 | 56 | msgid "suggest edit" 57 | msgstr "pasiūlyti redaguoti" 58 | 59 | msgid "Open an issue" 60 | msgstr "Atidarykite problemą" 61 | 62 | msgid "Launch" 63 | msgstr "Paleiskite" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Pilno ekrano režimas" 67 | 68 | msgid "Edit this page" 69 | msgstr "Redaguoti šį puslapį" 70 | 71 | msgid "By the" 72 | msgstr "Prie" 73 | 74 | msgid "next page" 75 | msgstr "Kitas puslapis" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/lv/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: lv\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Drukāt PDF formātā" 13 | 14 | msgid "Theme by the" 15 | msgstr "Autora tēma" 16 | 17 | msgid "Download source file" 18 | msgstr "Lejupielādēt avota failu" 19 | 20 | msgid "open issue" 21 | msgstr "atklāts jautājums" 22 | 23 | msgid "Contents" 24 | msgstr "Saturs" 25 | 26 | msgid "previous page" 27 | msgstr "iepriekšējā lapa" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Lejupielādēt piezīmju grāmatiņu" 31 | 32 | msgid "Copyright" 33 | msgstr "Autortiesības" 34 | 35 | msgid "Download this page" 36 | msgstr "Lejupielādējiet šo lapu" 37 | 38 | msgid "Source repository" 39 | msgstr "Avota krātuve" 40 | 41 | msgid "By" 42 | msgstr "Autors" 43 | 44 | msgid "repository" 45 | msgstr "krātuve" 46 | 47 | msgid "Last updated on" 48 | msgstr "Pēdējoreiz atjaunināts" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Pārslēgt navigāciju" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sfinksa grāmatas tēma" 55 | 56 | msgid "suggest edit" 57 | msgstr "ieteikt rediģēt" 58 | 59 | msgid "Open an issue" 60 | msgstr "Atveriet problēmu" 61 | 62 | msgid "Launch" 63 | msgstr "Uzsākt" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Pilnekrāna režīms" 67 | 68 | msgid "Edit this page" 69 | msgstr "Rediģēt šo lapu" 70 | 71 | msgid "By the" 72 | msgstr "Ar" 73 | 74 | msgid "next page" 75 | msgstr "nākamā lapaspuse" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ml/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ml\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "PDF- ലേക്ക് പ്രിന്റുചെയ്യുക" 13 | 14 | msgid "Theme by the" 15 | msgstr "പ്രമേയം" 16 | 17 | msgid "Download source file" 18 | msgstr "ഉറവിട ഫയൽ ഡൗൺലോഡുചെയ്യുക" 19 | 20 | msgid "open issue" 21 | msgstr "തുറന്ന പ്രശ്നം" 22 | 23 | msgid "previous page" 24 | msgstr "മുൻപത്തെ താൾ" 25 | 26 | msgid "Download notebook file" 27 | msgstr "നോട്ട്ബുക്ക് ഫയൽ ഡൺലോഡ് ചെയ്യുക" 28 | 29 | msgid "Copyright" 30 | msgstr "പകർപ്പവകാശം" 31 | 32 | msgid "Download this page" 33 | msgstr "ഈ പേജ് ഡൗൺലോഡുചെയ്യുക" 34 | 35 | msgid "Source repository" 36 | msgstr "ഉറവിട ശേഖരം" 37 | 38 | msgid "By" 39 | msgstr "എഴുതിയത്" 40 | 41 | msgid "Last updated on" 42 | msgstr "അവസാനം അപ്‌ഡേറ്റുചെയ്‌തത്" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "നാവിഗേഷൻ ടോഗിൾ ചെയ്യുക" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "സ്ഫിങ്ക്സ് പുസ്തക തീം" 49 | 50 | msgid "suggest edit" 51 | msgstr "എഡിറ്റുചെയ്യാൻ നിർദ്ദേശിക്കുക" 52 | 53 | msgid "Open an issue" 54 | msgstr "ഒരു പ്രശ്നം തുറക്കുക" 55 | 56 | msgid "Launch" 57 | msgstr "സമാരംഭിക്കുക" 58 | 59 | msgid "Edit this page" 60 | msgstr "ഈ പേജ് എഡിറ്റുചെയ്യുക" 61 | 62 | msgid "By the" 63 | msgstr "എഴുതിയത്" 64 | 65 | msgid "next page" 66 | msgstr "അടുത്ത പേജ്" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/mr/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: mr\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "पीडीएफवर मुद्रित करा" 13 | 14 | msgid "Theme by the" 15 | msgstr "द्वारा थीम" 16 | 17 | msgid "Download source file" 18 | msgstr "स्त्रोत फाइल डाउनलोड करा" 19 | 20 | msgid "open issue" 21 | msgstr "खुला मुद्दा" 22 | 23 | msgid "previous page" 24 | msgstr "मागील पान" 25 | 26 | msgid "Download notebook file" 27 | msgstr "नोटबुक फाईल डाउनलोड करा" 28 | 29 | msgid "Copyright" 30 | msgstr "कॉपीराइट" 31 | 32 | msgid "Download this page" 33 | msgstr "हे पृष्ठ डाउनलोड करा" 34 | 35 | msgid "Source repository" 36 | msgstr "स्त्रोत भांडार" 37 | 38 | msgid "By" 39 | msgstr "द्वारा" 40 | 41 | msgid "Last updated on" 42 | msgstr "अखेरचे अद्यतनित" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "नेव्हिगेशन टॉगल करा" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "स्फिंक्स बुक थीम" 49 | 50 | msgid "suggest edit" 51 | msgstr "संपादन सुचवा" 52 | 53 | msgid "Open an issue" 54 | msgstr "एक मुद्दा उघडा" 55 | 56 | msgid "Launch" 57 | msgstr "लाँच करा" 58 | 59 | msgid "Edit this page" 60 | msgstr "हे पृष्ठ संपादित करा" 61 | 62 | msgid "By the" 63 | msgstr "द्वारा" 64 | 65 | msgid "next page" 66 | msgstr "पुढील पृष्ठ" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ms/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ms\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Cetak ke PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema oleh" 16 | 17 | msgid "Download source file" 18 | msgstr "Muat turun fail sumber" 19 | 20 | msgid "open issue" 21 | msgstr "isu terbuka" 22 | 23 | msgid "previous page" 24 | msgstr "halaman sebelumnya" 25 | 26 | msgid "Download notebook file" 27 | msgstr "Muat turun fail buku nota" 28 | 29 | msgid "Copyright" 30 | msgstr "hak cipta" 31 | 32 | msgid "Download this page" 33 | msgstr "Muat turun halaman ini" 34 | 35 | msgid "Source repository" 36 | msgstr "Repositori sumber" 37 | 38 | msgid "By" 39 | msgstr "Oleh" 40 | 41 | msgid "Last updated on" 42 | msgstr "Terakhir dikemas kini pada" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "Togol navigasi" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "Tema Buku Sphinx" 49 | 50 | msgid "suggest edit" 51 | msgstr "cadangkan edit" 52 | 53 | msgid "Open an issue" 54 | msgstr "Buka masalah" 55 | 56 | msgid "Launch" 57 | msgstr "Lancarkan" 58 | 59 | msgid "Edit this page" 60 | msgstr "Edit halaman ini" 61 | 62 | msgid "By the" 63 | msgstr "Oleh" 64 | 65 | msgid "next page" 66 | msgstr "muka surat seterusnya" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/nl/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: nl\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Afdrukken naar pdf" 13 | 14 | msgid "Theme by the" 15 | msgstr "Thema door de" 16 | 17 | msgid "Download source file" 18 | msgstr "Download het bronbestand" 19 | 20 | msgid "open issue" 21 | msgstr "open probleem" 22 | 23 | msgid "Contents" 24 | msgstr "Inhoud" 25 | 26 | msgid "previous page" 27 | msgstr "vorige pagina" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Download notebookbestand" 31 | 32 | msgid "Copyright" 33 | msgstr "auteursrechten" 34 | 35 | msgid "Download this page" 36 | msgstr "Download deze pagina" 37 | 38 | msgid "Source repository" 39 | msgstr "Bronopslagplaats" 40 | 41 | msgid "By" 42 | msgstr "Door" 43 | 44 | msgid "repository" 45 | msgstr "repository" 46 | 47 | msgid "Last updated on" 48 | msgstr "Laatst geupdate op" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Schakel navigatie" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx-boekthema" 55 | 56 | msgid "suggest edit" 57 | msgstr "suggereren bewerken" 58 | 59 | msgid "Open an issue" 60 | msgstr "Open een probleem" 61 | 62 | msgid "Launch" 63 | msgstr "Lancering" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Volledig scherm" 67 | 68 | msgid "Edit this page" 69 | msgstr "bewerk deze pagina" 70 | 71 | msgid "By the" 72 | msgstr "Door de" 73 | 74 | msgid "next page" 75 | msgstr "volgende bladzijde" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/no/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: no\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Skriv ut til PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema av" 16 | 17 | msgid "Download source file" 18 | msgstr "Last ned kildefilen" 19 | 20 | msgid "open issue" 21 | msgstr "åpent nummer" 22 | 23 | msgid "Contents" 24 | msgstr "Innhold" 25 | 26 | msgid "previous page" 27 | msgstr "forrige side" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Last ned notatbokfilen" 31 | 32 | msgid "Copyright" 33 | msgstr "opphavsrett" 34 | 35 | msgid "Download this page" 36 | msgstr "Last ned denne siden" 37 | 38 | msgid "Source repository" 39 | msgstr "Kildedepot" 40 | 41 | msgid "By" 42 | msgstr "Av" 43 | 44 | msgid "repository" 45 | msgstr "oppbevaringssted" 46 | 47 | msgid "Last updated on" 48 | msgstr "Sist oppdatert den" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Bytt navigasjon" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx boktema" 55 | 56 | msgid "suggest edit" 57 | msgstr "foreslå redigering" 58 | 59 | msgid "Open an issue" 60 | msgstr "Åpne et problem" 61 | 62 | msgid "Launch" 63 | msgstr "Start" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Fullskjerm-modus" 67 | 68 | msgid "Edit this page" 69 | msgstr "Rediger denne siden" 70 | 71 | msgid "By the" 72 | msgstr "Ved" 73 | 74 | msgid "next page" 75 | msgstr "neste side" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/pl/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: pl\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Drukuj do PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Motyw autorstwa" 16 | 17 | msgid "Download source file" 18 | msgstr "Pobierz plik źródłowy" 19 | 20 | msgid "open issue" 21 | msgstr "otwarty problem" 22 | 23 | msgid "Contents" 24 | msgstr "Zawartość" 25 | 26 | msgid "previous page" 27 | msgstr "Poprzednia strona" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Pobierz plik notatnika" 31 | 32 | msgid "Copyright" 33 | msgstr "prawa autorskie" 34 | 35 | msgid "Download this page" 36 | msgstr "Pobierz tę stronę" 37 | 38 | msgid "Source repository" 39 | msgstr "Repozytorium źródłowe" 40 | 41 | msgid "By" 42 | msgstr "Przez" 43 | 44 | msgid "repository" 45 | msgstr "magazyn" 46 | 47 | msgid "Last updated on" 48 | msgstr "Ostatnia aktualizacja" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Przełącz nawigację" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Motyw książki Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "zaproponuj edycję" 58 | 59 | msgid "Open an issue" 60 | msgstr "Otwórz problem" 61 | 62 | msgid "Launch" 63 | msgstr "Uruchomić" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Pełny ekran" 67 | 68 | msgid "Edit this page" 69 | msgstr "Edytuj tę strone" 70 | 71 | msgid "By the" 72 | msgstr "Przez" 73 | 74 | msgid "next page" 75 | msgstr "Następna strona" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/pt/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: pt\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Imprimir em PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema por" 16 | 17 | msgid "Download source file" 18 | msgstr "Baixar arquivo fonte" 19 | 20 | msgid "open issue" 21 | msgstr "questão aberta" 22 | 23 | msgid "Contents" 24 | msgstr "Conteúdo" 25 | 26 | msgid "previous page" 27 | msgstr "página anterior" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Baixar arquivo de notebook" 31 | 32 | msgid "Copyright" 33 | msgstr "direito autoral" 34 | 35 | msgid "Download this page" 36 | msgstr "Baixe esta página" 37 | 38 | msgid "Source repository" 39 | msgstr "Repositório fonte" 40 | 41 | msgid "By" 42 | msgstr "De" 43 | 44 | msgid "repository" 45 | msgstr "repositório" 46 | 47 | msgid "Last updated on" 48 | msgstr "Última atualização em" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Alternar de navegação" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema do livro Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "sugerir edição" 58 | 59 | msgid "Open an issue" 60 | msgstr "Abra um problema" 61 | 62 | msgid "Launch" 63 | msgstr "Lançamento" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Modo tela cheia" 67 | 68 | msgid "Edit this page" 69 | msgstr "Edite essa página" 70 | 71 | msgid "By the" 72 | msgstr "Pelo" 73 | 74 | msgid "next page" 75 | msgstr "próxima página" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ro/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ro\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Imprimați în PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema de" 16 | 17 | msgid "Download source file" 18 | msgstr "Descărcați fișierul sursă" 19 | 20 | msgid "open issue" 21 | msgstr "problema deschisă" 22 | 23 | msgid "Contents" 24 | msgstr "Cuprins" 25 | 26 | msgid "previous page" 27 | msgstr "pagina anterioară" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Descărcați fișierul notebook" 31 | 32 | msgid "Copyright" 33 | msgstr "Drepturi de autor" 34 | 35 | msgid "Download this page" 36 | msgstr "Descarcă această pagină" 37 | 38 | msgid "Source repository" 39 | msgstr "Depozit sursă" 40 | 41 | msgid "By" 42 | msgstr "De" 43 | 44 | msgid "repository" 45 | msgstr "repertoriu" 46 | 47 | msgid "Last updated on" 48 | msgstr "Ultima actualizare la" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Comutare navigare" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema Sphinx Book" 55 | 56 | msgid "suggest edit" 57 | msgstr "sugerează editare" 58 | 59 | msgid "Open an issue" 60 | msgstr "Deschideți o problemă" 61 | 62 | msgid "Launch" 63 | msgstr "Lansa" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Modul ecran întreg" 67 | 68 | msgid "Edit this page" 69 | msgstr "Editați această pagină" 70 | 71 | msgid "By the" 72 | msgstr "Langa" 73 | 74 | msgid "next page" 75 | msgstr "pagina următoare" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ru/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ru\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Распечатать в PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Тема от" 16 | 17 | msgid "Download source file" 18 | msgstr "Скачать исходный файл" 19 | 20 | msgid "open issue" 21 | msgstr "открытый вопрос" 22 | 23 | msgid "Contents" 24 | msgstr "Содержание" 25 | 26 | msgid "previous page" 27 | msgstr "Предыдущая страница" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Скачать файл записной книжки" 31 | 32 | msgid "Copyright" 33 | msgstr "авторское право" 34 | 35 | msgid "Download this page" 36 | msgstr "Загрузите эту страницу" 37 | 38 | msgid "Source repository" 39 | msgstr "Исходный репозиторий" 40 | 41 | msgid "By" 42 | msgstr "По" 43 | 44 | msgid "repository" 45 | msgstr "хранилище" 46 | 47 | msgid "Last updated on" 48 | msgstr "Последнее обновление" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Переключить навигацию" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Тема книги Сфинкс" 55 | 56 | msgid "suggest edit" 57 | msgstr "предложить редактировать" 58 | 59 | msgid "Open an issue" 60 | msgstr "Открыть вопрос" 61 | 62 | msgid "Launch" 63 | msgstr "Запуск" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Полноэкранный режим" 67 | 68 | msgid "Edit this page" 69 | msgstr "Редактировать эту страницу" 70 | 71 | msgid "By the" 72 | msgstr "Посредством" 73 | 74 | msgid "next page" 75 | msgstr "Следующая страница" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/sk/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: sk\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Tlač do PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Téma od" 16 | 17 | msgid "Download source file" 18 | msgstr "Stiahnite si zdrojový súbor" 19 | 20 | msgid "open issue" 21 | msgstr "otvorené vydanie" 22 | 23 | msgid "Contents" 24 | msgstr "Obsah" 25 | 26 | msgid "previous page" 27 | msgstr "predchádzajúca strana" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Stiahnite si zošit" 31 | 32 | msgid "Copyright" 33 | msgstr "Autorské práva" 34 | 35 | msgid "Download this page" 36 | msgstr "Stiahnite si túto stránku" 37 | 38 | msgid "Source repository" 39 | msgstr "Zdrojové úložisko" 40 | 41 | msgid "By" 42 | msgstr "Autor:" 43 | 44 | msgid "repository" 45 | msgstr "Úložisko" 46 | 47 | msgid "Last updated on" 48 | msgstr "Posledná aktualizácia dňa" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Prepnúť navigáciu" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Téma knihy Sfinga" 55 | 56 | msgid "suggest edit" 57 | msgstr "navrhnúť úpravu" 58 | 59 | msgid "Open an issue" 60 | msgstr "Otvorte problém" 61 | 62 | msgid "Launch" 63 | msgstr "Spustiť" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Režim celej obrazovky" 67 | 68 | msgid "Edit this page" 69 | msgstr "Upraviť túto stránku" 70 | 71 | msgid "By the" 72 | msgstr "Podľa" 73 | 74 | msgid "next page" 75 | msgstr "ďalšia strana" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/sl/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: sl\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Natisni v PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema avtorja" 16 | 17 | msgid "Download source file" 18 | msgstr "Prenesite izvorno datoteko" 19 | 20 | msgid "open issue" 21 | msgstr "odprto vprašanje" 22 | 23 | msgid "Contents" 24 | msgstr "Vsebina" 25 | 26 | msgid "previous page" 27 | msgstr "Prejšnja stran" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Prenesite datoteko zvezka" 31 | 32 | msgid "Copyright" 33 | msgstr "avtorske pravice" 34 | 35 | msgid "Download this page" 36 | msgstr "Prenesite to stran" 37 | 38 | msgid "Source repository" 39 | msgstr "Izvorno skladišče" 40 | 41 | msgid "By" 42 | msgstr "Avtor" 43 | 44 | msgid "repository" 45 | msgstr "odlagališče" 46 | 47 | msgid "Last updated on" 48 | msgstr "Nazadnje posodobljeno dne" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Preklopi navigacijo" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Tema knjige Sphinx" 55 | 56 | msgid "suggest edit" 57 | msgstr "predlagajte urejanje" 58 | 59 | msgid "Open an issue" 60 | msgstr "Odprite številko" 61 | 62 | msgid "Launch" 63 | msgstr "Kosilo" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Celozaslonski način" 67 | 68 | msgid "Edit this page" 69 | msgstr "Uredite to stran" 70 | 71 | msgid "By the" 72 | msgstr "Avtor" 73 | 74 | msgid "next page" 75 | msgstr "Naslednja stran" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/sr/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: sr\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Испис у ПДФ" 13 | 14 | msgid "Theme by the" 15 | msgstr "Тхеме би" 16 | 17 | msgid "Download source file" 18 | msgstr "Преузми изворну датотеку" 19 | 20 | msgid "open issue" 21 | msgstr "отворено издање" 22 | 23 | msgid "Contents" 24 | msgstr "Садржај" 25 | 26 | msgid "previous page" 27 | msgstr "Претходна страница" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Преузмите датотеку бележнице" 31 | 32 | msgid "Copyright" 33 | msgstr "Ауторско право" 34 | 35 | msgid "Download this page" 36 | msgstr "Преузмите ову страницу" 37 | 38 | msgid "Source repository" 39 | msgstr "Изворно спремиште" 40 | 41 | msgid "By" 42 | msgstr "Од стране" 43 | 44 | msgid "repository" 45 | msgstr "спремиште" 46 | 47 | msgid "Last updated on" 48 | msgstr "Последње ажурирање" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Укључи / искључи навигацију" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Тема књиге Спхинк" 55 | 56 | msgid "suggest edit" 57 | msgstr "предложи уређивање" 58 | 59 | msgid "Open an issue" 60 | msgstr "Отворите издање" 61 | 62 | msgid "Launch" 63 | msgstr "Лансирање" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Режим целог екрана" 67 | 68 | msgid "Edit this page" 69 | msgstr "Уредите ову страницу" 70 | 71 | msgid "By the" 72 | msgstr "Од" 73 | 74 | msgid "next page" 75 | msgstr "Следећа страна" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/sv/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: sv\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Skriv ut till PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema av" 16 | 17 | msgid "Download source file" 18 | msgstr "Ladda ner källfil" 19 | 20 | msgid "open issue" 21 | msgstr "öppna problemrapport" 22 | 23 | msgid "Contents" 24 | msgstr "Innehåll" 25 | 26 | msgid "previous page" 27 | msgstr "föregående sida" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Ladda ner notebook-fil" 31 | 32 | msgid "Copyright" 33 | msgstr "Upphovsrätt" 34 | 35 | msgid "Download this page" 36 | msgstr "Ladda ner den här sidan" 37 | 38 | msgid "Source repository" 39 | msgstr "Källkodsrepositorium" 40 | 41 | msgid "By" 42 | msgstr "Av" 43 | 44 | msgid "repository" 45 | msgstr "repositorium" 46 | 47 | msgid "Last updated on" 48 | msgstr "Senast uppdaterad den" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Växla navigering" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx Boktema" 55 | 56 | msgid "suggest edit" 57 | msgstr "föreslå ändring" 58 | 59 | msgid "Open an issue" 60 | msgstr "Öppna en problemrapport" 61 | 62 | msgid "Launch" 63 | msgstr "Öppna" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Fullskärmsläge" 67 | 68 | msgid "Edit this page" 69 | msgstr "Redigera den här sidan" 70 | 71 | msgid "By the" 72 | msgstr "Av den" 73 | 74 | msgid "next page" 75 | msgstr "nästa sida" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ta/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ta\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "PDF இல் அச்சிடுக" 13 | 14 | msgid "Theme by the" 15 | msgstr "வழங்கிய தீம்" 16 | 17 | msgid "Download source file" 18 | msgstr "மூல கோப்பைப் பதிவிறக்குக" 19 | 20 | msgid "open issue" 21 | msgstr "திறந்த பிரச்சினை" 22 | 23 | msgid "previous page" 24 | msgstr "முந்தைய பக்கம்" 25 | 26 | msgid "Download notebook file" 27 | msgstr "நோட்புக் கோப்பைப் பதிவிறக்கவும்" 28 | 29 | msgid "Copyright" 30 | msgstr "பதிப்புரிமை" 31 | 32 | msgid "Download this page" 33 | msgstr "இந்தப் பக்கத்தைப் பதிவிறக்கவும்" 34 | 35 | msgid "Source repository" 36 | msgstr "மூல களஞ்சியம்" 37 | 38 | msgid "By" 39 | msgstr "வழங்கியவர்" 40 | 41 | msgid "Last updated on" 42 | msgstr "கடைசியாக புதுப்பிக்கப்பட்டது" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "வழிசெலுத்தலை நிலைமாற்று" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "ஸ்பிங்க்ஸ் புத்தக தீம்" 49 | 50 | msgid "suggest edit" 51 | msgstr "திருத்த பரிந்துரைக்கவும்" 52 | 53 | msgid "Open an issue" 54 | msgstr "சிக்கலைத் திறக்கவும்" 55 | 56 | msgid "Launch" 57 | msgstr "தொடங்க" 58 | 59 | msgid "Edit this page" 60 | msgstr "இந்தப் பக்கத்தைத் திருத்தவும்" 61 | 62 | msgid "By the" 63 | msgstr "மூலம்" 64 | 65 | msgid "next page" 66 | msgstr "அடுத்த பக்கம்" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/te/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: te\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "PDF కి ముద్రించండి" 13 | 14 | msgid "Theme by the" 15 | msgstr "ద్వారా థీమ్" 16 | 17 | msgid "Download source file" 18 | msgstr "మూల ఫైల్‌ను డౌన్‌లోడ్ చేయండి" 19 | 20 | msgid "open issue" 21 | msgstr "ఓపెన్ ఇష్యూ" 22 | 23 | msgid "previous page" 24 | msgstr "ముందు పేజి" 25 | 26 | msgid "Download notebook file" 27 | msgstr "నోట్బుక్ ఫైల్ను డౌన్లోడ్ చేయండి" 28 | 29 | msgid "Copyright" 30 | msgstr "కాపీరైట్" 31 | 32 | msgid "Download this page" 33 | msgstr "ఈ పేజీని డౌన్‌లోడ్ చేయండి" 34 | 35 | msgid "Source repository" 36 | msgstr "మూల రిపోజిటరీ" 37 | 38 | msgid "By" 39 | msgstr "ద్వారా" 40 | 41 | msgid "Last updated on" 42 | msgstr "చివరిగా నవీకరించబడింది" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "నావిగేషన్‌ను టోగుల్ చేయండి" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "సింహిక పుస్తక థీమ్" 49 | 50 | msgid "suggest edit" 51 | msgstr "సవరించమని సూచించండి" 52 | 53 | msgid "Open an issue" 54 | msgstr "సమస్యను తెరవండి" 55 | 56 | msgid "Launch" 57 | msgstr "ప్రారంభించండి" 58 | 59 | msgid "Edit this page" 60 | msgstr "ఈ పేజీని సవరించండి" 61 | 62 | msgid "By the" 63 | msgstr "ద్వారా" 64 | 65 | msgid "next page" 66 | msgstr "తరువాతి పేజీ" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/tg/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: tg\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Чоп ба PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Мавзӯъи аз" 16 | 17 | msgid "Download source file" 18 | msgstr "Файли манбаъро зеркашӣ кунед" 19 | 20 | msgid "open issue" 21 | msgstr "барориши кушод" 22 | 23 | msgid "Contents" 24 | msgstr "Мундариҷа" 25 | 26 | msgid "previous page" 27 | msgstr "саҳифаи қаблӣ" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Файли дафтарро зеркашӣ кунед" 31 | 32 | msgid "Copyright" 33 | msgstr "Ҳуқуқи муаллиф" 34 | 35 | msgid "Download this page" 36 | msgstr "Ин саҳифаро зеркашӣ кунед" 37 | 38 | msgid "Source repository" 39 | msgstr "Анбори манбаъ" 40 | 41 | msgid "By" 42 | msgstr "Бо" 43 | 44 | msgid "repository" 45 | msgstr "анбор" 46 | 47 | msgid "Last updated on" 48 | msgstr "Last навсозӣ дар" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Гузаришро иваз кунед" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Сфинкс Мавзӯи китоб" 55 | 56 | msgid "suggest edit" 57 | msgstr "пешниҳод вироиш" 58 | 59 | msgid "Open an issue" 60 | msgstr "Масъаларо кушоед" 61 | 62 | msgid "Launch" 63 | msgstr "Оғоз" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Ҳолати экрани пурра" 67 | 68 | msgid "Edit this page" 69 | msgstr "Ин саҳифаро таҳрир кунед" 70 | 71 | msgid "By the" 72 | msgstr "Бо" 73 | 74 | msgid "next page" 75 | msgstr "саҳифаи оянда" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/th/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: th\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "พิมพ์เป็น PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "ธีมโดย" 16 | 17 | msgid "Download source file" 18 | msgstr "ดาวน์โหลดไฟล์ต้นฉบับ" 19 | 20 | msgid "open issue" 21 | msgstr "เปิดปัญหา" 22 | 23 | msgid "Contents" 24 | msgstr "สารบัญ" 25 | 26 | msgid "previous page" 27 | msgstr "หน้าที่แล้ว" 28 | 29 | msgid "Download notebook file" 30 | msgstr "ดาวน์โหลดไฟล์สมุดบันทึก" 31 | 32 | msgid "Copyright" 33 | msgstr "ลิขสิทธิ์" 34 | 35 | msgid "Download this page" 36 | msgstr "ดาวน์โหลดหน้านี้" 37 | 38 | msgid "Source repository" 39 | msgstr "ที่เก็บซอร์ส" 40 | 41 | msgid "By" 42 | msgstr "โดย" 43 | 44 | msgid "repository" 45 | msgstr "ที่เก็บ" 46 | 47 | msgid "Last updated on" 48 | msgstr "ปรับปรุงล่าสุดเมื่อ" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "ไม่ต้องสลับช่องทาง" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "ธีมหนังสือสฟิงซ์" 55 | 56 | msgid "suggest edit" 57 | msgstr "แนะนำแก้ไข" 58 | 59 | msgid "Open an issue" 60 | msgstr "เปิดปัญหา" 61 | 62 | msgid "Launch" 63 | msgstr "เปิด" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "โหมดเต็มหน้าจอ" 67 | 68 | msgid "Edit this page" 69 | msgstr "แก้ไขหน้านี้" 70 | 71 | msgid "By the" 72 | msgstr "โดย" 73 | 74 | msgid "next page" 75 | msgstr "หน้าต่อไป" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/tl/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: tl\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "I-print sa PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tema ng" 16 | 17 | msgid "Download source file" 18 | msgstr "Mag-download ng file ng pinagmulan" 19 | 20 | msgid "open issue" 21 | msgstr "bukas na isyu" 22 | 23 | msgid "previous page" 24 | msgstr "Nakaraang pahina" 25 | 26 | msgid "Download notebook file" 27 | msgstr "Mag-download ng file ng notebook" 28 | 29 | msgid "Copyright" 30 | msgstr "Copyright" 31 | 32 | msgid "Download this page" 33 | msgstr "I-download ang pahinang ito" 34 | 35 | msgid "Source repository" 36 | msgstr "Pinagmulan ng imbakan" 37 | 38 | msgid "By" 39 | msgstr "Ni" 40 | 41 | msgid "Last updated on" 42 | msgstr "Huling na-update noong" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "I-toggle ang pag-navigate" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "Tema ng Sphinx Book" 49 | 50 | msgid "suggest edit" 51 | msgstr "iminumungkahi i-edit" 52 | 53 | msgid "Open an issue" 54 | msgstr "Magbukas ng isyu" 55 | 56 | msgid "Launch" 57 | msgstr "Ilunsad" 58 | 59 | msgid "Edit this page" 60 | msgstr "I-edit ang pahinang ito" 61 | 62 | msgid "By the" 63 | msgstr "Sa pamamagitan ng" 64 | 65 | msgid "next page" 66 | msgstr "Susunod na pahina" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/tr/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: tr\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "PDF olarak yazdır" 13 | 14 | msgid "Theme by the" 15 | msgstr "Tarafından tema" 16 | 17 | msgid "Download source file" 18 | msgstr "Kaynak dosyayı indirin" 19 | 20 | msgid "open issue" 21 | msgstr "Açık konu" 22 | 23 | msgid "Contents" 24 | msgstr "İçindekiler" 25 | 26 | msgid "previous page" 27 | msgstr "önceki sayfa" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Defter dosyasını indirin" 31 | 32 | msgid "Copyright" 33 | msgstr "Telif hakkı" 34 | 35 | msgid "Download this page" 36 | msgstr "Bu sayfayı indirin" 37 | 38 | msgid "Source repository" 39 | msgstr "Kaynak kod deposu" 40 | 41 | msgid "By" 42 | msgstr "Tarafından" 43 | 44 | msgid "repository" 45 | msgstr "depo" 46 | 47 | msgid "Last updated on" 48 | msgstr "Son güncelleme tarihi" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Gezinmeyi değiştir" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sfenks Kitap Teması" 55 | 56 | msgid "suggest edit" 57 | msgstr "düzenleme öner" 58 | 59 | msgid "Open an issue" 60 | msgstr "Bir sorunu açın" 61 | 62 | msgid "Launch" 63 | msgstr "Başlatmak" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Tam ekran modu" 67 | 68 | msgid "Edit this page" 69 | msgstr "Bu sayfayı düzenle" 70 | 71 | msgid "By the" 72 | msgstr "Tarafından" 73 | 74 | msgid "next page" 75 | msgstr "sonraki Sayfa" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/uk/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: uk\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "Друк у форматі PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Тема від" 16 | 17 | msgid "Download source file" 18 | msgstr "Завантажити вихідний файл" 19 | 20 | msgid "open issue" 21 | msgstr "відкритий випуск" 22 | 23 | msgid "Contents" 24 | msgstr "Зміст" 25 | 26 | msgid "previous page" 27 | msgstr "Попередня сторінка" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Завантажте файл блокнота" 31 | 32 | msgid "Copyright" 33 | msgstr "Авторське право" 34 | 35 | msgid "Download this page" 36 | msgstr "Завантажте цю сторінку" 37 | 38 | msgid "Source repository" 39 | msgstr "Джерело сховища" 40 | 41 | msgid "By" 42 | msgstr "Автор" 43 | 44 | msgid "repository" 45 | msgstr "сховище" 46 | 47 | msgid "Last updated on" 48 | msgstr "Останнє оновлення:" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Переключити навігацію" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Тема книги \"Сфінкс\"" 55 | 56 | msgid "suggest edit" 57 | msgstr "запропонувати редагувати" 58 | 59 | msgid "Open an issue" 60 | msgstr "Відкрийте випуск" 61 | 62 | msgid "Launch" 63 | msgstr "Запуск" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Повноекранний режим" 67 | 68 | msgid "Edit this page" 69 | msgstr "Редагувати цю сторінку" 70 | 71 | msgid "By the" 72 | msgstr "По" 73 | 74 | msgid "next page" 75 | msgstr "Наступна сторінка" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/ur/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: ur\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "پی ڈی ایف پرنٹ کریں" 13 | 14 | msgid "Theme by the" 15 | msgstr "کے ذریعہ تھیم" 16 | 17 | msgid "Download source file" 18 | msgstr "سورس فائل ڈاؤن لوڈ کریں" 19 | 20 | msgid "open issue" 21 | msgstr "کھلا مسئلہ" 22 | 23 | msgid "previous page" 24 | msgstr "سابقہ ​​صفحہ" 25 | 26 | msgid "Download notebook file" 27 | msgstr "نوٹ بک فائل ڈاؤن لوڈ کریں" 28 | 29 | msgid "Copyright" 30 | msgstr "کاپی رائٹ" 31 | 32 | msgid "Download this page" 33 | msgstr "اس صفحے کو ڈاؤن لوڈ کریں" 34 | 35 | msgid "Source repository" 36 | msgstr "ماخذ ذخیرہ" 37 | 38 | msgid "By" 39 | msgstr "بذریعہ" 40 | 41 | msgid "Last updated on" 42 | msgstr "آخری بار تازہ کاری ہوئی" 43 | 44 | msgid "Toggle navigation" 45 | msgstr "نیویگیشن ٹوگل کریں" 46 | 47 | msgid "Sphinx Book Theme" 48 | msgstr "سپنکس بک تھیم" 49 | 50 | msgid "suggest edit" 51 | msgstr "ترمیم کی تجویز کریں" 52 | 53 | msgid "Open an issue" 54 | msgstr "ایک مسئلہ کھولیں" 55 | 56 | msgid "Launch" 57 | msgstr "لانچ کریں" 58 | 59 | msgid "Edit this page" 60 | msgstr "اس صفحے میں ترمیم کریں" 61 | 62 | msgid "By the" 63 | msgstr "کی طرف" 64 | 65 | msgid "next page" 66 | msgstr "اگلا صفحہ" 67 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/vi/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: vi\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "In sang PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "Chủ đề của" 16 | 17 | msgid "Download source file" 18 | msgstr "Tải xuống tệp nguồn" 19 | 20 | msgid "open issue" 21 | msgstr "vấn đề mở" 22 | 23 | msgid "Contents" 24 | msgstr "Nội dung" 25 | 26 | msgid "previous page" 27 | msgstr "trang trước" 28 | 29 | msgid "Download notebook file" 30 | msgstr "Tải xuống tệp sổ tay" 31 | 32 | msgid "Copyright" 33 | msgstr "Bản quyền" 34 | 35 | msgid "Download this page" 36 | msgstr "Tải xuống trang này" 37 | 38 | msgid "Source repository" 39 | msgstr "Kho nguồn" 40 | 41 | msgid "By" 42 | msgstr "Bởi" 43 | 44 | msgid "repository" 45 | msgstr "kho" 46 | 47 | msgid "Last updated on" 48 | msgstr "Cập nhật lần cuối vào" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "Chuyển đổi điều hướng thành" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Chủ đề sách nhân sư" 55 | 56 | msgid "suggest edit" 57 | msgstr "đề nghị chỉnh sửa" 58 | 59 | msgid "Open an issue" 60 | msgstr "Mở một vấn đề" 61 | 62 | msgid "Launch" 63 | msgstr "Phóng" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "Chế độ toàn màn hình" 67 | 68 | msgid "Edit this page" 69 | msgstr "chỉnh sửa trang này" 70 | 71 | msgid "By the" 72 | msgstr "Bằng" 73 | 74 | msgid "next page" 75 | msgstr "Trang tiếp theo" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/zh_CN/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: zh_CN\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "列印成 PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "主题作者:" 16 | 17 | msgid "Download source file" 18 | msgstr "下载源文件" 19 | 20 | msgid "open issue" 21 | msgstr "创建议题" 22 | 23 | msgid "Contents" 24 | msgstr "目录" 25 | 26 | msgid "previous page" 27 | msgstr "上一页" 28 | 29 | msgid "Download notebook file" 30 | msgstr "下载笔记本文件" 31 | 32 | msgid "Copyright" 33 | msgstr "版权" 34 | 35 | msgid "Download this page" 36 | msgstr "下载此页面" 37 | 38 | msgid "Source repository" 39 | msgstr "源码库" 40 | 41 | msgid "By" 42 | msgstr "作者:" 43 | 44 | msgid "repository" 45 | msgstr "仓库" 46 | 47 | msgid "Last updated on" 48 | msgstr "上次更新时间:" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "显示或隐藏导航栏" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx Book 主题" 55 | 56 | msgid "suggest edit" 57 | msgstr "提出修改建议" 58 | 59 | msgid "Open an issue" 60 | msgstr "创建议题" 61 | 62 | msgid "Launch" 63 | msgstr "启动" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "全屏模式" 67 | 68 | msgid "Edit this page" 69 | msgstr "编辑此页面" 70 | 71 | msgid "By the" 72 | msgstr "作者:" 73 | 74 | msgid "next page" 75 | msgstr "下一页" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/locales/zh_TW/LC_MESSAGES/booktheme.po: -------------------------------------------------------------------------------- 1 | 2 | msgid "" 3 | msgstr "" 4 | "Project-Id-Version: Sphinx-Book-Theme\n" 5 | "MIME-Version: 1.0\n" 6 | "Content-Type: text/plain; charset=UTF-8\n" 7 | "Content-Transfer-Encoding: 8bit\n" 8 | "Language: zh_TW\n" 9 | "Plural-Forms: nplurals=2; plural=(n != 1);\n" 10 | 11 | msgid "Print to PDF" 12 | msgstr "列印成 PDF" 13 | 14 | msgid "Theme by the" 15 | msgstr "佈景主題作者:" 16 | 17 | msgid "Download source file" 18 | msgstr "下載原始檔" 19 | 20 | msgid "open issue" 21 | msgstr "公開的問題" 22 | 23 | msgid "Contents" 24 | msgstr "目錄" 25 | 26 | msgid "previous page" 27 | msgstr "上一頁" 28 | 29 | msgid "Download notebook file" 30 | msgstr "下載 Notebook 檔案" 31 | 32 | msgid "Copyright" 33 | msgstr "Copyright" 34 | 35 | msgid "Download this page" 36 | msgstr "下載此頁面" 37 | 38 | msgid "Source repository" 39 | msgstr "來源儲存庫" 40 | 41 | msgid "By" 42 | msgstr "作者:" 43 | 44 | msgid "repository" 45 | msgstr "儲存庫" 46 | 47 | msgid "Last updated on" 48 | msgstr "最後更新時間:" 49 | 50 | msgid "Toggle navigation" 51 | msgstr "顯示或隱藏導覽列" 52 | 53 | msgid "Sphinx Book Theme" 54 | msgstr "Sphinx Book 佈景主題" 55 | 56 | msgid "suggest edit" 57 | msgstr "提出修改建議" 58 | 59 | msgid "Open an issue" 60 | msgstr "開啟議題" 61 | 62 | msgid "Launch" 63 | msgstr "啟動" 64 | 65 | msgid "Fullscreen mode" 66 | msgstr "全螢幕模式" 67 | 68 | msgid "Edit this page" 69 | msgstr "編輯此頁面" 70 | 71 | msgid "By the" 72 | msgstr "作者:" 73 | 74 | msgid "next page" 75 | msgstr "下一頁" 76 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/logo.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/logo.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/minus.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/minus.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/play-solid.svg: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/plus.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/plus.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/sbt-webpack-macros.html: -------------------------------------------------------------------------------- 1 | 5 | {% macro head_pre_bootstrap() %} 6 | 7 | {% endmacro %} 8 | 9 | {% macro body_post() %} 10 | 11 | {% endmacro %} 12 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/scripts/bootstrap.js.LICENSE.txt: -------------------------------------------------------------------------------- 1 | /*! 2 | * Bootstrap v5.3.3 (https://getbootstrap.com/) 3 | * Copyright 2011-2024 The Bootstrap Authors (https://github.com/twbs/bootstrap/graphs/contributors) 4 | * Licensed under MIT (https://github.com/twbs/bootstrap/blob/main/LICENSE) 5 | */ 6 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/scripts/sphinx-book-theme.js: -------------------------------------------------------------------------------- 1 | (()=>{"use strict";var e=e=>{"loading"!=document.readyState?e():document.addEventListener?document.addEventListener("DOMContentLoaded",e):document.attachEvent("onreadystatechange",(function(){"complete"==document.readyState&&e()}))};window.initThebeSBT=()=>{var e=document.querySelector("section h1");e.nextElementSibling.classList.contains("thebe-launch-button")||e.insertAdjacentHTML("afterend",""),initThebe()},window.toggleFullScreen=()=>{var e=document.fullscreenElement&&null!==document.fullscreenElement||document.webkitFullscreenElement&&null!==document.webkitFullscreenElement;let t=document.documentElement;e?(console.log("[SBT]: Exiting full screen"),document.exitFullscreen?document.exitFullscreen():document.webkitExitFullscreen&&document.webkitExitFullscreen()):(console.log("[SBT]: Entering full screen"),t.requestFullscreen?t.requestFullscreen():t.webkitRequestFullscreen&&t.webkitRequestFullscreen())},e((()=>{var e=[];let t=new IntersectionObserver(((t,n)=>{t.forEach((t=>{if(t.isIntersecting)e.push(t.target);else for(let n=0;n0?document.querySelector("div.bd-sidebar-secondary").classList.add("hide"):document.querySelector("div.bd-sidebar-secondary").classList.remove("hide")}),{rootMargin:"0px 0px -33% 0px"}),n=[];["marginnote","sidenote","margin","margin-caption","full-width","sidebar","popout"].forEach((e=>{n.push(`.${e}`,`.tag_${e}`,`.${e.replace("-","_")}`,`.tag_${e.replace("-","_")}`)})),document.querySelectorAll(n.join(", ")).forEach((e=>{t.observe(e)})),new IntersectionObserver(((e,t)=>{e[0].boundingClientRect.y<0?document.body.classList.add("scrolled"):document.body.classList.remove("scrolled")})).observe(document.querySelector(".sbt-scroll-pixel-helper"))})),e((function(){var e=[".bd-header-announcement",".bd-header",".bd-header-article",".bd-sidebar-primary",".bd-sidebar-secondary",".bd-footer-article",".bd-footer-content",".bd-footer"].join(",");document.querySelectorAll(e).forEach((e=>{e.classList.add("noprint")}))}))})(); 2 | //# sourceMappingURL=sphinx-book-theme.js.map -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/scripts/sphinx-book-theme.js.map: -------------------------------------------------------------------------------- 1 | {"version":3,"file":"scripts/sphinx-book-theme.js","mappings":"mBASA,IAAIA,EAAsBC,IACG,WAAvBC,SAASC,WACXF,IACSC,SAASE,iBAClBF,SAASE,iBAAiB,mBAAoBH,GAE9CC,SAASG,YAAY,sBAAsB,WACd,YAAvBH,SAASC,YAA0BF,GACzC,GACF,EAkKFK,OAAOC,aAtCY,KACjB,IAAIC,EAAQN,SAASO,cAAc,cACrBD,EAAME,mBAGPC,UAAUC,SAAS,wBAC9BJ,EAAMK,mBACJ,WACA,iDAIJC,WAAW,EA2BbR,OAAOS,iBAzJgB,KACrB,IAAIC,EACDd,SAASe,mBAAoD,OAA/Bf,SAASe,mBACvCf,SAASgB,yBAC6B,OAArChB,SAASgB,wBACb,IAAIC,EAASjB,SAASkB,gBACjBJ,GAQHK,QAAQC,IAAI,8BACRpB,SAASqB,eACXrB,SAASqB,iBACArB,SAASsB,sBAClBtB,SAASsB,yBAXXH,QAAQC,IAAI,+BACRH,EAAOM,kBACTN,EAAOM,oBACEN,EAAOO,yBAChBP,EAAOO,0BASX,EA0IF1B,GAzHkB,KAChB,IAAI2B,EAAgB,GACpB,IAwCIC,EAAc,IAAIC,sBAxCA,CAACC,EAASC,KAE9BD,EAAQE,SAASC,IACf,GAAIA,EAAMC,eAERP,EAAcQ,KAAKF,EAAMG,aAGzB,IAAK,IAAIC,EAAK,EAAGA,EAAKV,EAAcW,OAAQD,IAC1C,GAAIV,EAAcU,KAAQJ,EAAMG,OAAQ,CACtCT,EAAcY,OAAOF,EAAI,GACzB,KACF,CAEJ,IAIEV,EAAcW,OAAS,EACzBpC,SAASO,cAAc,4BAA4BE,UAAU6B,IAAI,QAEjEtC,SACGO,cAAc,4BACdE,UAAU8B,OAAO,OACtB,GAYY,CAEZC,WAAY,qBAaVC,EAAiB,GATG,CACtB,aACA,WACA,SACA,iBACA,aACA,UACA,UAGcX,SAASK,IAEvBM,EAAeR,KAEX,IAAIE,IACJ,QAAQA,IACR,IAAIA,EAAGO,QAAQ,IAAK,OACpB,QAAQP,EAAGO,QAAQ,IAAK,OAE3B,IAEH1C,SAAS2C,iBAAiBF,EAAeG,KAAK,OAAOd,SAASK,IAC5DT,EAAYmB,QAAQV,EAAG,IAIJ,IAAIR,sBA1CO,CAACC,EAASC,KAEpCD,EAAQ,GAAGkB,mBAAmBC,EAAI,EACpC/C,SAASgD,KAAKvC,UAAU6B,IAAI,YAE5BtC,SAASgD,KAAKvC,UAAU8B,OAAO,WACjC,IAqCaM,QAAQ7C,SAASO,cAAc,4BAA4B,IAmD5ET,GA1BA,WACE,IAAImD,EAAkB,CACpB,0BACA,aACA,qBACA,sBACA,wBACA,qBACA,qBACA,cACAL,KAAK,KACP5C,SAAS2C,iBAAiBM,GAAiBnB,SAASK,IAClDA,EAAG1B,UAAU6B,IAAI,UAAU,GAE/B,G","sources":["webpack://sphinx_book_theme/./src/sphinx_book_theme/assets/scripts/index.js"],"sourcesContent":["// Import CSS variables\n// ref: https://css-tricks.com/getting-javascript-to-talk-to-css-and-sass/\nimport \"../styles/index.scss\";\n\n/**\n * A helper function to load scripts when the DOM is loaded.\n * This waits for everything to be on the page first before running, since\n * some functionality doesn't behave properly until everything is ready.\n */\nvar sbRunWhenDOMLoaded = (cb) => {\n if (document.readyState != \"loading\") {\n cb();\n } else if (document.addEventListener) {\n document.addEventListener(\"DOMContentLoaded\", cb);\n } else {\n document.attachEvent(\"onreadystatechange\", function () {\n if (document.readyState == \"complete\") cb();\n });\n }\n};\n\n/**\n * Toggle full-screen with button\n *\n * There are some browser-specific hacks in here:\n * - Safari requires a `webkit` prefix, so this uses conditionals to check for that\n * ref: https://developer.mozilla.org/en-US/docs/Web/API/Fullscreen_API\n */\nvar toggleFullScreen = () => {\n var isInFullScreen =\n (document.fullscreenElement && document.fullscreenElement !== null) ||\n (document.webkitFullscreenElement &&\n document.webkitFullscreenElement !== null);\n let docElm = document.documentElement;\n if (!isInFullScreen) {\n console.log(\"[SBT]: Entering full screen\");\n if (docElm.requestFullscreen) {\n docElm.requestFullscreen();\n } else if (docElm.webkitRequestFullscreen) {\n docElm.webkitRequestFullscreen();\n }\n } else {\n console.log(\"[SBT]: Exiting full screen\");\n if (document.exitFullscreen) {\n document.exitFullscreen();\n } else if (document.webkitExitFullscreen) {\n document.webkitExitFullscreen();\n }\n }\n};\n\n/**\n * Manage scrolling behavior. This is primarily two things:\n *\n * 1. Hide the Table of Contents any time sidebar content is on the screen.\n *\n * This will be triggered any time a sidebar item enters or exits the screen.\n * It adds/removes items from an array if they have entered the screen, and\n * removes them when they exit the screen. It hides the TOC if anything is\n * on-screen.\n *\n * ref: https://developer.mozilla.org/en-US/docs/Web/API/Intersection_Observer_API\n *\n * 2. Add a `scrolled` class to to trigger CSS changes.\n */\nvar initTocHide = () => {\n var onScreenItems = [];\n let hideTocCallback = (entries, observer) => {\n // Check whether any sidebar item is displayed\n entries.forEach((entry) => {\n if (entry.isIntersecting) {\n // If an element just came on screen, add it our list\n onScreenItems.push(entry.target);\n } else {\n // Otherwise, if it's in our list then remove it\n for (let ii = 0; ii < onScreenItems.length; ii++) {\n if (onScreenItems[ii] === entry.target) {\n onScreenItems.splice(ii, 1);\n break;\n }\n }\n }\n });\n\n // Hide the TOC if any margin content is displayed on the screen\n if (onScreenItems.length > 0) {\n document.querySelector(\"div.bd-sidebar-secondary\").classList.add(\"hide\");\n } else {\n document\n .querySelector(\"div.bd-sidebar-secondary\")\n .classList.remove(\"hide\");\n }\n };\n let manageScrolledClassOnBody = (entries, observer) => {\n // The pixel is at the top, so if we're < 0 that it means we've scrolled\n if (entries[0].boundingClientRect.y < 0) {\n document.body.classList.add(\"scrolled\");\n } else {\n document.body.classList.remove(\"scrolled\");\n }\n };\n\n // Set up the intersection observer to watch all margin content\n let options = {\n // Trigger callback when the top of a margin item is 1/3 up the screen\n rootMargin: \"0px 0px -33% 0px\",\n };\n let tocObserver = new IntersectionObserver(hideTocCallback, options);\n // TODO: deprecate popout after v0.5.0\n const selectorClasses = [\n \"marginnote\",\n \"sidenote\",\n \"margin\",\n \"margin-caption\",\n \"full-width\",\n \"sidebar\",\n \"popout\",\n ];\n let marginSelector = [];\n selectorClasses.forEach((ii) => {\n // Use three permutations of each class name because `tag_` and `_` used to be supported\n marginSelector.push(\n ...[\n `.${ii}`,\n `.tag_${ii}`,\n `.${ii.replace(\"-\", \"_\")}`,\n `.tag_${ii.replace(\"-\", \"_\")}`,\n ],\n );\n });\n document.querySelectorAll(marginSelector.join(\", \")).forEach((ii) => {\n tocObserver.observe(ii);\n });\n\n // Set up the observer to check if we've scrolled from top of page\n let scrollObserver = new IntersectionObserver(manageScrolledClassOnBody);\n scrollObserver.observe(document.querySelector(\".sbt-scroll-pixel-helper\"));\n};\n\n/**\n * Activate Thebe with a custom button click.\n */\nvar initThebeSBT = () => {\n var title = document.querySelector(\"section h1\");\n var sibling = title.nextElementSibling;\n // If the next element after the title isn't a thebe button, add one now.\n // That way it is initiatlized when thebe is first-clicked and isn't re-added after.\n if (!sibling.classList.contains(\"thebe-launch-button\")) {\n title.insertAdjacentHTML(\n \"afterend\",\n \"\",\n );\n }\n // This function is provided by sphinx-thebe\n initThebe();\n};\n\n/**\n * Add no print class to certain DOM elements\n */\n\nfunction addNoPrint() {\n var noPrintSelector = [\n \".bd-header-announcement\",\n \".bd-header\",\n \".bd-header-article\",\n \".bd-sidebar-primary\",\n \".bd-sidebar-secondary\",\n \".bd-footer-article\",\n \".bd-footer-content\",\n \".bd-footer\",\n ].join(\",\");\n document.querySelectorAll(noPrintSelector).forEach((ii) => {\n ii.classList.add(\"noprint\");\n });\n}\n\n/**\n * Set up callback functions for UI click actions\n */\nwindow.initThebeSBT = initThebeSBT;\nwindow.toggleFullScreen = toggleFullScreen;\n\n/**\n * Set up functions to load when the DOM is ready\n */\nsbRunWhenDOMLoaded(initTocHide);\nsbRunWhenDOMLoaded(addNoPrint);\n"],"names":["sbRunWhenDOMLoaded","cb","document","readyState","addEventListener","attachEvent","window","initThebeSBT","title","querySelector","nextElementSibling","classList","contains","insertAdjacentHTML","initThebe","toggleFullScreen","isInFullScreen","fullscreenElement","webkitFullscreenElement","docElm","documentElement","console","log","exitFullscreen","webkitExitFullscreen","requestFullscreen","webkitRequestFullscreen","onScreenItems","tocObserver","IntersectionObserver","entries","observer","forEach","entry","isIntersecting","push","target","ii","length","splice","add","remove","rootMargin","marginSelector","replace","querySelectorAll","join","observe","boundingClientRect","y","body","noPrintSelector"],"sourceRoot":""} -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/sphinx-thebe.css: -------------------------------------------------------------------------------- 1 | /* Thebelab Buttons */ 2 | .thebelab-button { 3 | z-index: 999; 4 | display: inline-block; 5 | padding: 0.35em 1.2em; 6 | margin: 0px 1px; 7 | border-radius: 0.12em; 8 | box-sizing: border-box; 9 | text-decoration: none; 10 | font-family: "Roboto", sans-serif; 11 | font-weight: 300; 12 | text-align: center; 13 | transition: all 0.2s; 14 | background-color: #dddddd; 15 | border: 0.05em solid white; 16 | color: #000000; 17 | } 18 | 19 | .thebelab-button:hover { 20 | border: 0.05em solid black; 21 | background-color: #fcfcfc; 22 | } 23 | 24 | .thebe-launch-button { 25 | height: 2.2em; 26 | font-size: 0.8em; 27 | border: 1px black solid; 28 | } 29 | 30 | /* Thebelab Cell */ 31 | .thebelab-cell pre { 32 | background: none; 33 | } 34 | 35 | .thebelab-cell .thebelab-input { 36 | padding-left: 1em; 37 | margin-bottom: 0.5em; 38 | margin-top: 0.5em; 39 | } 40 | 41 | .thebelab-cell .jp-OutputArea { 42 | margin-top: 0.5em; 43 | margin-left: 1em; 44 | } 45 | 46 | button.thebelab-button.thebelab-run-button { 47 | margin-left: 1.5em; 48 | margin-bottom: 0.5em; 49 | } 50 | 51 | /* Loading button */ 52 | button.thebe-launch-button div.spinner { 53 | float: left; 54 | margin-right: 1em; 55 | } 56 | 57 | /* Remove the spinner when thebelab is ready */ 58 | .thebe-launch-button.thebe-status-ready .spinner { 59 | display: none; 60 | } 61 | 62 | .thebe-launch-button span.status { 63 | font-family: monospace; 64 | font-weight: bold; 65 | } 66 | 67 | .thebe-launch-button.thebe-status-ready span.status { 68 | color: green; 69 | } 70 | 71 | .spinner { 72 | height: 2em; 73 | text-align: center; 74 | font-size: 0.7em; 75 | } 76 | 77 | .spinner > div { 78 | background-color: #f37726; 79 | height: 100%; 80 | width: 6px; 81 | display: inline-block; 82 | 83 | -webkit-animation: sk-stretchdelay 1.2s infinite ease-in-out; 84 | animation: sk-stretchdelay 1.2s infinite ease-in-out; 85 | } 86 | 87 | .spinner .rect2 { 88 | -webkit-animation-delay: -1.1s; 89 | animation-delay: -1.1s; 90 | } 91 | 92 | .spinner .rect3 { 93 | -webkit-animation-delay: -1s; 94 | animation-delay: -1s; 95 | } 96 | 97 | .spinner .rect4 { 98 | -webkit-animation-delay: -0.9s; 99 | animation-delay: -0.9s; 100 | } 101 | 102 | .spinner .rect5 { 103 | -webkit-animation-delay: -0.8s; 104 | animation-delay: -0.8s; 105 | } 106 | 107 | @-webkit-keyframes sk-stretchdelay { 108 | 0%, 109 | 40%, 110 | 100% { 111 | -webkit-transform: scaleY(0.4); 112 | } 113 | 20% { 114 | -webkit-transform: scaleY(1); 115 | } 116 | } 117 | 118 | @keyframes sk-stretchdelay { 119 | 0%, 120 | 40%, 121 | 100% { 122 | transform: scaleY(0.4); 123 | -webkit-transform: scaleY(0.4); 124 | } 125 | 20% { 126 | transform: scaleY(1); 127 | -webkit-transform: scaleY(1); 128 | } 129 | } 130 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/sphinx-thebe.js: -------------------------------------------------------------------------------- 1 | /** 2 | * Add attributes to Thebe blocks to initialize thebe properly 3 | */ 4 | var configureThebe = () => { 5 | // Load thebe config in case we want to update it as some point 6 | console.log("[sphinx-thebe]: Loading thebe config..."); 7 | thebe_config = document.querySelector("script[type=\"text/x-thebe-config\"]"); 8 | 9 | // If we already detect a Thebe cell, don't re-run 10 | if (document.querySelectorAll("div.thebe-cell").length > 0) { 11 | return; 12 | } 13 | 14 | // Update thebe buttons with loading message 15 | document.querySelectorAll(".thebe-launch-button").forEach((button) => { 16 | button.innerHTML = ` 17 |
18 |
19 |
20 |
21 |
22 |
23 | `; 24 | }); 25 | 26 | // Set thebe event hooks 27 | var thebeStatus; 28 | thebelab.on("status", function (evt, data) { 29 | console.log("Status changed:", data.status, data.message); 30 | 31 | const button = document.querySelector(".thebe-launch-button "); 32 | button.classList.replace( 33 | `thebe-status-${thebeStatus}`, 34 | `thebe-status-${data.status}` 35 | ) 36 | button.querySelector(".loading-text") 37 | .innerHTML = ( 38 | `Launching from mybinder.org: 39 | ${data.status}` 40 | ); 41 | 42 | // Now update our thebe status 43 | thebeStatus = data.status; 44 | 45 | // Find any cells with an initialization tag and ask thebe to run them when ready 46 | if (data.status === "ready") { 47 | var thebeInitCells = document.querySelectorAll( 48 | ".thebe-init, .tag_thebe-init" 49 | ); 50 | thebeInitCells.forEach((cell) => { 51 | console.log("Initializing Thebe with cell: " + cell.id); 52 | cell.querySelector(".thebelab-run-button").click(); 53 | }); 54 | } 55 | }); 56 | }; 57 | 58 | /** 59 | * Update the page DOM to use Thebe elements 60 | */ 61 | var modifyDOMForThebe = () => { 62 | // Find all code cells, replace with Thebe interactive code cells 63 | const codeCells = document.querySelectorAll(thebe_selector); 64 | codeCells.forEach((codeCell, index) => { 65 | const codeCellId = (index) => `codecell${index}`; 66 | codeCell.id = codeCellId(index); 67 | codeCellText = codeCell.querySelector(thebe_selector_input); 68 | codeCellOutput = codeCell.querySelector(thebe_selector_output); 69 | 70 | // Clean up the language to make it work w/ CodeMirror and add it to the cell 71 | dataLanguage = detectLanguage(kernelName); 72 | 73 | // Re-arrange the cell and add metadata 74 | if (codeCellText) { 75 | codeCellText.setAttribute("data-language", dataLanguage); 76 | codeCellText.setAttribute("data-executable", "true"); 77 | 78 | // If we had an output, insert it just after the `pre` cell 79 | if (codeCellOutput) { 80 | codeCellOutput.setAttribute("data-output", ""); 81 | codeCellText.insertAdjacentElement('afterend', codeCellOutput); 82 | } 83 | } 84 | 85 | // Remove sphinx-copybutton blocks, which are common in Sphinx 86 | codeCell.querySelectorAll("button.copybtn").forEach((el) => { 87 | el.remove(); 88 | }); 89 | }); 90 | }; 91 | 92 | var initThebe = () => { 93 | // Load thebe dynamically if it's not already loaded 94 | if (typeof thebelab === "undefined") { 95 | console.log("[sphinx-thebe]: Loading thebe from CDN..."); 96 | document.querySelector(".thebe-launch-button ").innerText = "Loading thebe from CDN..."; 97 | 98 | const script = document.createElement("script"); 99 | script.src = `${THEBE_JS_URL}`; 100 | document.head.appendChild(script); 101 | 102 | // Runs once the script has finished loading 103 | script.addEventListener("load", () => { 104 | console.log("[sphinx-thebe]: Finished loading thebe from CDN..."); 105 | configureThebe(); 106 | modifyDOMForThebe(); 107 | thebelab.bootstrap(); 108 | }); 109 | } else { 110 | console.log( 111 | "[sphinx-thebe]: thebe already loaded, not loading from CDN..." 112 | ); 113 | configureThebe(); 114 | modifyDOMForThebe(); 115 | thebelab.bootstrap(); 116 | } 117 | }; 118 | 119 | // Helper function to munge the language name 120 | var detectLanguage = (language) => { 121 | if (language.indexOf("python") > -1) { 122 | language = "python"; 123 | } else if (language === "ir") { 124 | language = "r"; 125 | } 126 | return language; 127 | }; 128 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/sphinx_highlight.js: -------------------------------------------------------------------------------- 1 | /* Highlighting utilities for Sphinx HTML documentation. */ 2 | "use strict"; 3 | 4 | const SPHINX_HIGHLIGHT_ENABLED = true 5 | 6 | /** 7 | * highlight a given string on a node by wrapping it in 8 | * span elements with the given class name. 9 | */ 10 | const _highlight = (node, addItems, text, className) => { 11 | if (node.nodeType === Node.TEXT_NODE) { 12 | const val = node.nodeValue; 13 | const parent = node.parentNode; 14 | const pos = val.toLowerCase().indexOf(text); 15 | if ( 16 | pos >= 0 && 17 | !parent.classList.contains(className) && 18 | !parent.classList.contains("nohighlight") 19 | ) { 20 | let span; 21 | 22 | const closestNode = parent.closest("body, svg, foreignObject"); 23 | const isInSVG = closestNode && closestNode.matches("svg"); 24 | if (isInSVG) { 25 | span = document.createElementNS("http://www.w3.org/2000/svg", "tspan"); 26 | } else { 27 | span = document.createElement("span"); 28 | span.classList.add(className); 29 | } 30 | 31 | span.appendChild(document.createTextNode(val.substr(pos, text.length))); 32 | const rest = document.createTextNode(val.substr(pos + text.length)); 33 | parent.insertBefore( 34 | span, 35 | parent.insertBefore( 36 | rest, 37 | node.nextSibling 38 | ) 39 | ); 40 | node.nodeValue = val.substr(0, pos); 41 | /* There may be more occurrences of search term in this node. So call this 42 | * function recursively on the remaining fragment. 43 | */ 44 | _highlight(rest, addItems, text, className); 45 | 46 | if (isInSVG) { 47 | const rect = document.createElementNS( 48 | "http://www.w3.org/2000/svg", 49 | "rect" 50 | ); 51 | const bbox = parent.getBBox(); 52 | rect.x.baseVal.value = bbox.x; 53 | rect.y.baseVal.value = bbox.y; 54 | rect.width.baseVal.value = bbox.width; 55 | rect.height.baseVal.value = bbox.height; 56 | rect.setAttribute("class", className); 57 | addItems.push({ parent: parent, target: rect }); 58 | } 59 | } 60 | } else if (node.matches && !node.matches("button, select, textarea")) { 61 | node.childNodes.forEach((el) => _highlight(el, addItems, text, className)); 62 | } 63 | }; 64 | const _highlightText = (thisNode, text, className) => { 65 | let addItems = []; 66 | _highlight(thisNode, addItems, text, className); 67 | addItems.forEach((obj) => 68 | obj.parent.insertAdjacentElement("beforebegin", obj.target) 69 | ); 70 | }; 71 | 72 | /** 73 | * Small JavaScript module for the documentation. 74 | */ 75 | const SphinxHighlight = { 76 | 77 | /** 78 | * highlight the search words provided in localstorage in the text 79 | */ 80 | highlightSearchWords: () => { 81 | if (!SPHINX_HIGHLIGHT_ENABLED) return; // bail if no highlight 82 | 83 | // get and clear terms from localstorage 84 | const url = new URL(window.location); 85 | const highlight = 86 | localStorage.getItem("sphinx_highlight_terms") 87 | || url.searchParams.get("highlight") 88 | || ""; 89 | localStorage.removeItem("sphinx_highlight_terms") 90 | url.searchParams.delete("highlight"); 91 | window.history.replaceState({}, "", url); 92 | 93 | // get individual terms from highlight string 94 | const terms = highlight.toLowerCase().split(/\s+/).filter(x => x); 95 | if (terms.length === 0) return; // nothing to do 96 | 97 | // There should never be more than one element matching "div.body" 98 | const divBody = document.querySelectorAll("div.body"); 99 | const body = divBody.length ? divBody[0] : document.querySelector("body"); 100 | window.setTimeout(() => { 101 | terms.forEach((term) => _highlightText(body, term, "highlighted")); 102 | }, 10); 103 | 104 | const searchBox = document.getElementById("searchbox"); 105 | if (searchBox === null) return; 106 | searchBox.appendChild( 107 | document 108 | .createRange() 109 | .createContextualFragment( 110 | '" 114 | ) 115 | ); 116 | }, 117 | 118 | /** 119 | * helper function to hide the search marks again 120 | */ 121 | hideSearchWords: () => { 122 | document 123 | .querySelectorAll("#searchbox .highlight-link") 124 | .forEach((el) => el.remove()); 125 | document 126 | .querySelectorAll("span.highlighted") 127 | .forEach((el) => el.classList.remove("highlighted")); 128 | localStorage.removeItem("sphinx_highlight_terms") 129 | }, 130 | 131 | initEscapeListener: () => { 132 | // only install a listener if it is really needed 133 | if (!DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS) return; 134 | 135 | document.addEventListener("keydown", (event) => { 136 | // bail for input elements 137 | if (BLACKLISTED_KEY_CONTROL_ELEMENTS.has(document.activeElement.tagName)) return; 138 | // bail with special keys 139 | if (event.shiftKey || event.altKey || event.ctrlKey || event.metaKey) return; 140 | if (DOCUMENTATION_OPTIONS.ENABLE_SEARCH_SHORTCUTS && (event.key === "Escape")) { 141 | SphinxHighlight.hideSearchWords(); 142 | event.preventDefault(); 143 | } 144 | }); 145 | }, 146 | }; 147 | 148 | _ready(() => { 149 | /* Do not call highlightSearchWords() when we are on the search page. 150 | * It will highlight words from the *previous* search query. 151 | */ 152 | if (typeof Search === "undefined") SphinxHighlight.highlightSearchWords(); 153 | SphinxHighlight.initEscapeListener(); 154 | }); 155 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/styles/theme.css: -------------------------------------------------------------------------------- 1 | /* Provided by Sphinx's 'basic' theme, and included in the final set of assets */ 2 | @import "../basic.css"; 3 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/togglebutton.css: -------------------------------------------------------------------------------- 1 | /** 2 | * Admonition-based toggles 3 | */ 4 | 5 | /* Visibility of the target */ 6 | .admonition.toggle .admonition-title ~ * { 7 | transition: opacity .3s, height .3s; 8 | } 9 | 10 | /* Toggle buttons inside admonitions so we see the title */ 11 | .admonition.toggle { 12 | position: relative; 13 | } 14 | 15 | /* Titles should cut off earlier to avoid overlapping w/ button */ 16 | .admonition.toggle .admonition-title { 17 | padding-right: 25%; 18 | cursor: pointer; 19 | } 20 | 21 | /* Hovering will cause a slight shift in color to make it feel interactive */ 22 | .admonition.toggle .admonition-title:hover { 23 | box-shadow: inset 0 0 0px 20px rgb(0 0 0 / 1%); 24 | } 25 | 26 | /* Hovering will cause a slight shift in color to make it feel interactive */ 27 | .admonition.toggle .admonition-title:active { 28 | box-shadow: inset 0 0 0px 20px rgb(0 0 0 / 3%); 29 | } 30 | 31 | /* Remove extra whitespace below the admonition title when hidden */ 32 | .admonition.toggle-hidden { 33 | padding-bottom: 0; 34 | } 35 | 36 | .admonition.toggle-hidden .admonition-title { 37 | margin-bottom: 0; 38 | } 39 | 40 | /* hides all the content of a page until de-toggled */ 41 | .admonition.toggle-hidden .admonition-title ~ * { 42 | height: 0; 43 | margin: 0; 44 | opacity: 0; 45 | visibility: hidden; 46 | } 47 | 48 | /* General button style and position*/ 49 | button.toggle-button { 50 | /** 51 | * Background and shape. By default there's no background 52 | * but users can style as they wish 53 | */ 54 | background: none; 55 | border: none; 56 | outline: none; 57 | 58 | /* Positioning just inside the admonition title */ 59 | position: absolute; 60 | right: 0.5em; 61 | padding: 0px; 62 | border: none; 63 | outline: none; 64 | } 65 | 66 | /* Display the toggle hint on wide screens */ 67 | @media (min-width: 768px) { 68 | button.toggle-button.toggle-button-hidden:before { 69 | content: attr(data-toggle-hint); /* This will be filled in by JS */ 70 | font-size: .8em; 71 | align-self: center; 72 | } 73 | } 74 | 75 | /* Icon behavior */ 76 | .tb-icon { 77 | transition: transform .2s ease-out; 78 | height: 1.5em; 79 | width: 1.5em; 80 | stroke: currentColor; /* So that we inherit the color of other text */ 81 | } 82 | 83 | /* The icon should point right when closed, down when open. */ 84 | /* Open */ 85 | .admonition.toggle button .tb-icon { 86 | transform: rotate(90deg); 87 | } 88 | 89 | /* Closed */ 90 | .admonition.toggle button.toggle-button-hidden .tb-icon { 91 | transform: rotate(0deg); 92 | } 93 | 94 | /* With details toggles, we don't rotate the icon so it points right */ 95 | details.toggle-details .tb-icon { 96 | height: 1.4em; 97 | width: 1.4em; 98 | margin-top: 0.1em; /* To center the button vertically */ 99 | } 100 | 101 | 102 | /** 103 | * Details-based toggles. 104 | * In this case, we wrap elements with `.toggle` in a details block. 105 | */ 106 | 107 | /* Details blocks */ 108 | details.toggle-details { 109 | margin: 1em 0; 110 | } 111 | 112 | 113 | details.toggle-details summary { 114 | display: flex; 115 | align-items: center; 116 | cursor: pointer; 117 | list-style: none; 118 | border-radius: .2em; 119 | border-left: 3px solid #1976d2; 120 | background-color: rgb(204 204 204 / 10%); 121 | padding: 0.2em 0.7em 0.3em 0.5em; /* Less padding on left because the SVG has left margin */ 122 | font-size: 0.9em; 123 | } 124 | 125 | details.toggle-details summary:hover { 126 | background-color: rgb(204 204 204 / 20%); 127 | } 128 | 129 | details.toggle-details summary:active { 130 | background: rgb(204 204 204 / 28%); 131 | } 132 | 133 | .toggle-details__summary-text { 134 | margin-left: 0.2em; 135 | } 136 | 137 | details.toggle-details[open] summary { 138 | margin-bottom: .5em; 139 | } 140 | 141 | details.toggle-details[open] summary .tb-icon { 142 | transform: rotate(90deg); 143 | } 144 | 145 | details.toggle-details[open] summary ~ * { 146 | animation: toggle-fade-in .3s ease-out; 147 | } 148 | 149 | @keyframes toggle-fade-in { 150 | from {opacity: 0%;} 151 | to {opacity: 100%;} 152 | } 153 | 154 | /* Print rules - we hide all toggle button elements at print */ 155 | @media print { 156 | /* Always hide the summary so the button doesn't show up */ 157 | details.toggle-details summary { 158 | display: none; 159 | } 160 | } -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/togglebutton.js: -------------------------------------------------------------------------------- 1 | /** 2 | * Add Toggle Buttons to elements 3 | */ 4 | 5 | let toggleChevron = ` 6 | 7 | 8 | 9 | `; 10 | 11 | var initToggleItems = () => { 12 | var itemsToToggle = document.querySelectorAll(togglebuttonSelector); 13 | console.log(`[togglebutton]: Adding toggle buttons to ${itemsToToggle.length} items`) 14 | // Add the button to each admonition and hook up a callback to toggle visibility 15 | itemsToToggle.forEach((item, index) => { 16 | if (item.classList.contains("admonition")) { 17 | // If it's an admonition block, then we'll add a button inside 18 | // Generate unique IDs for this item 19 | var toggleID = `toggle-${index}`; 20 | var buttonID = `button-${toggleID}`; 21 | 22 | item.setAttribute('id', toggleID); 23 | if (!item.classList.contains("toggle")){ 24 | item.classList.add("toggle"); 25 | } 26 | // This is the button that will be added to each item to trigger the toggle 27 | var collapseButton = ` 28 | `; 31 | 32 | title = item.querySelector(".admonition-title") 33 | title.insertAdjacentHTML("beforeend", collapseButton); 34 | thisButton = document.getElementById(buttonID); 35 | 36 | // Add click handlers for the button + admonition title (if admonition) 37 | admonitionTitle = document.querySelector(`#${toggleID} > .admonition-title`) 38 | if (admonitionTitle) { 39 | // If an admonition, then make the whole title block clickable 40 | admonitionTitle.addEventListener('click', toggleClickHandler); 41 | admonitionTitle.dataset.target = toggleID 42 | admonitionTitle.dataset.button = buttonID 43 | } else { 44 | // If not an admonition then we'll listen for the button click 45 | thisButton.addEventListener('click', toggleClickHandler); 46 | } 47 | 48 | // Now hide the item for this toggle button unless explicitly noted to show 49 | if (!item.classList.contains("toggle-shown")) { 50 | toggleHidden(thisButton); 51 | } 52 | } else { 53 | // If not an admonition, wrap the block in a
block 54 | // Define the structure of the details block and insert it as a sibling 55 | var detailsBlock = ` 56 |
57 | 58 | ${toggleChevron} 59 | ${toggleHintShow} 60 | 61 |
`; 62 | item.insertAdjacentHTML("beforebegin", detailsBlock); 63 | 64 | // Now move the toggle-able content inside of the details block 65 | details = item.previousElementSibling 66 | details.appendChild(item) 67 | item.classList.add("toggle-details__container") 68 | 69 | // Set up a click trigger to change the text as needed 70 | details.addEventListener('click', (click) => { 71 | let parent = click.target.parentElement; 72 | if (parent.tagName.toLowerCase() == "details") { 73 | summary = parent.querySelector("summary"); 74 | details = parent; 75 | } else { 76 | summary = parent; 77 | details = parent.parentElement; 78 | } 79 | // Update the inner text for the proper hint 80 | if (details.open) { 81 | summary.querySelector("span.toggle-details__summary-text").innerText = toggleHintShow; 82 | } else { 83 | summary.querySelector("span.toggle-details__summary-text").innerText = toggleHintHide; 84 | } 85 | 86 | }); 87 | 88 | // If we have a toggle-shown class, open details block should be open 89 | if (item.classList.contains("toggle-shown")) { 90 | details.click(); 91 | } 92 | } 93 | }) 94 | }; 95 | 96 | // This should simply add / remove the collapsed class and change the button text 97 | var toggleHidden = (button) => { 98 | target = button.dataset['target'] 99 | var itemToToggle = document.getElementById(target); 100 | if (itemToToggle.classList.contains("toggle-hidden")) { 101 | itemToToggle.classList.remove("toggle-hidden"); 102 | button.classList.remove("toggle-button-hidden"); 103 | } else { 104 | itemToToggle.classList.add("toggle-hidden"); 105 | button.classList.add("toggle-button-hidden"); 106 | } 107 | } 108 | 109 | var toggleClickHandler = (click) => { 110 | // Be cause the admonition title is clickable and extends to the whole admonition 111 | // We only look for a click event on this title to trigger the toggle. 112 | 113 | if (click.target.classList.contains("admonition-title")) { 114 | button = click.target.querySelector(".toggle-button"); 115 | } else if (click.target.classList.contains("tb-icon")) { 116 | // We've clicked the icon and need to search up one parent for the button 117 | button = click.target.parentElement; 118 | } else if (click.target.tagName == "polyline") { 119 | // We've clicked the SVG elements inside the button, need to up 2 layers 120 | button = click.target.parentElement.parentElement; 121 | } else if (click.target.classList.contains("toggle-button")) { 122 | // We've clicked the button itself and so don't need to do anything 123 | button = click.target; 124 | } else { 125 | console.log(`[togglebutton]: Couldn't find button for ${click.target}`) 126 | } 127 | target = document.getElementById(button.dataset['button']); 128 | toggleHidden(target); 129 | } 130 | 131 | // If we want to blanket-add toggle classes to certain cells 132 | var addToggleToSelector = () => { 133 | const selector = ""; 134 | if (selector.length > 0) { 135 | document.querySelectorAll(selector).forEach((item) => { 136 | item.classList.add("toggle"); 137 | }) 138 | } 139 | } 140 | 141 | // Helper function to run when the DOM is finished 142 | const sphinxToggleRunWhenDOMLoaded = cb => { 143 | if (document.readyState != 'loading') { 144 | cb() 145 | } else if (document.addEventListener) { 146 | document.addEventListener('DOMContentLoaded', cb) 147 | } else { 148 | document.attachEvent('onreadystatechange', function() { 149 | if (document.readyState == 'complete') cb() 150 | }) 151 | } 152 | } 153 | sphinxToggleRunWhenDOMLoaded(addToggleToSelector) 154 | sphinxToggleRunWhenDOMLoaded(initToggleItems) 155 | 156 | /** Toggle details blocks to be open when printing */ 157 | if (toggleOpenOnPrint == "true") { 158 | window.addEventListener("beforeprint", () => { 159 | // Open the details 160 | document.querySelectorAll("details.toggle-details").forEach((el) => { 161 | el.dataset["togglestatus"] = el.open; 162 | el.open = true; 163 | }); 164 | 165 | // Open the admonitions 166 | document.querySelectorAll(".admonition.toggle.toggle-hidden").forEach((el) => { 167 | console.log(el); 168 | el.querySelector("button.toggle-button").click(); 169 | el.dataset["toggle_after_print"] = "true"; 170 | }); 171 | }); 172 | window.addEventListener("afterprint", () => { 173 | // Re-close the details that were closed 174 | document.querySelectorAll("details.toggle-details").forEach((el) => { 175 | el.open = el.dataset["togglestatus"] == "true"; 176 | delete el.dataset["togglestatus"]; 177 | }); 178 | 179 | // Re-close the admonition toggle buttons 180 | document.querySelectorAll(".admonition.toggle").forEach((el) => { 181 | if (el.dataset["toggle_after_print"] == "true") { 182 | el.querySelector("button.toggle-button").click(); 183 | delete el.dataset["toggle_after_print"]; 184 | } 185 | }); 186 | }); 187 | } 188 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/LICENSE.txt: -------------------------------------------------------------------------------- 1 | Fonticons, Inc. (https://fontawesome.com) 2 | 3 | -------------------------------------------------------------------------------- 4 | 5 | Font Awesome Free License 6 | 7 | Font Awesome Free is free, open source, and GPL friendly. You can use it for 8 | commercial projects, open source projects, or really almost whatever you want. 9 | Full Font Awesome Free license: https://fontawesome.com/license/free. 10 | 11 | -------------------------------------------------------------------------------- 12 | 13 | # Icons: CC BY 4.0 License (https://creativecommons.org/licenses/by/4.0/) 14 | 15 | The Font Awesome Free download is licensed under a Creative Commons 16 | Attribution 4.0 International License and applies to all icons packaged 17 | as SVG and JS file types. 18 | 19 | -------------------------------------------------------------------------------- 20 | 21 | # Fonts: SIL OFL 1.1 License 22 | 23 | In the Font Awesome Free download, the SIL OFL license applies to all icons 24 | packaged as web and desktop font files. 25 | 26 | Copyright (c) 2022 Fonticons, Inc. (https://fontawesome.com) 27 | with Reserved Font Name: "Font Awesome". 28 | 29 | This Font Software is licensed under the SIL Open Font License, Version 1.1. 30 | This license is copied below, and is also available with a FAQ at: 31 | http://scripts.sil.org/OFL 32 | 33 | SIL OPEN FONT LICENSE 34 | Version 1.1 - 26 February 2007 35 | 36 | PREAMBLE 37 | The goals of the Open Font License (OFL) are to stimulate worldwide 38 | development of collaborative font projects, to support the font creation 39 | efforts of academic and linguistic communities, and to provide a free and 40 | open framework in which fonts may be shared and improved in partnership 41 | with others. 42 | 43 | The OFL allows the licensed fonts to be used, studied, modified and 44 | redistributed freely as long as they are not sold by themselves. The 45 | fonts, including any derivative works, can be bundled, embedded, 46 | redistributed and/or sold with any software provided that any reserved 47 | names are not used by derivative works. The fonts and derivatives, 48 | however, cannot be released under any other type of license. The 49 | requirement for fonts to remain under this license does not apply 50 | to any document created using the fonts or their derivatives. 51 | 52 | DEFINITIONS 53 | "Font Software" refers to the set of files released by the Copyright 54 | Holder(s) under this license and clearly marked as such. This may 55 | include source files, build scripts and documentation. 56 | 57 | "Reserved Font Name" refers to any names specified as such after the 58 | copyright statement(s). 59 | 60 | "Original Version" refers to the collection of Font Software components as 61 | distributed by the Copyright Holder(s). 62 | 63 | "Modified Version" refers to any derivative made by adding to, deleting, 64 | or substituting — in part or in whole — any of the components of the 65 | Original Version, by changing formats or by porting the Font Software to a 66 | new environment. 67 | 68 | "Author" refers to any designer, engineer, programmer, technical 69 | writer or other person who contributed to the Font Software. 70 | 71 | PERMISSION & CONDITIONS 72 | Permission is hereby granted, free of charge, to any person obtaining 73 | a copy of the Font Software, to use, study, copy, merge, embed, modify, 74 | redistribute, and sell modified and unmodified copies of the Font 75 | Software, subject to the following conditions: 76 | 77 | 1) Neither the Font Software nor any of its individual components, 78 | in Original or Modified Versions, may be sold by itself. 79 | 80 | 2) Original or Modified Versions of the Font Software may be bundled, 81 | redistributed and/or sold with any software, provided that each copy 82 | contains the above copyright notice and this license. These can be 83 | included either as stand-alone text files, human-readable headers or 84 | in the appropriate machine-readable metadata fields within text or 85 | binary files as long as those fields can be easily viewed by the user. 86 | 87 | 3) No Modified Version of the Font Software may use the Reserved Font 88 | Name(s) unless explicit written permission is granted by the corresponding 89 | Copyright Holder. This restriction only applies to the primary font name as 90 | presented to the users. 91 | 92 | 4) The name(s) of the Copyright Holder(s) or the Author(s) of the Font 93 | Software shall not be used to promote, endorse or advertise any 94 | Modified Version, except to acknowledge the contribution(s) of the 95 | Copyright Holder(s) and the Author(s) or with their explicit written 96 | permission. 97 | 98 | 5) The Font Software, modified or unmodified, in part or in whole, 99 | must be distributed entirely under this license, and must not be 100 | distributed under any other license. The requirement for fonts to 101 | remain under this license does not apply to any document created 102 | using the Font Software. 103 | 104 | TERMINATION 105 | This license becomes null and void if any of the above conditions are 106 | not met. 107 | 108 | DISCLAIMER 109 | THE FONT SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, 110 | EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO ANY WARRANTIES OF 111 | MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT 112 | OF COPYRIGHT, PATENT, TRADEMARK, OR OTHER RIGHT. IN NO EVENT SHALL THE 113 | COPYRIGHT HOLDER BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, 114 | INCLUDING ANY GENERAL, SPECIAL, INDIRECT, INCIDENTAL, OR CONSEQUENTIAL 115 | DAMAGES, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING 116 | FROM, OUT OF THE USE OR INABILITY TO USE THE FONT SOFTWARE OR FROM 117 | OTHER DEALINGS IN THE FONT SOFTWARE. 118 | 119 | -------------------------------------------------------------------------------- 120 | 121 | # Code: MIT License (https://opensource.org/licenses/MIT) 122 | 123 | In the Font Awesome Free download, the MIT license applies to all non-font and 124 | non-icon files. 125 | 126 | Copyright 2022 Fonticons, Inc. 127 | 128 | Permission is hereby granted, free of charge, to any person obtaining a copy of 129 | this software and associated documentation files (the "Software"), to deal in the 130 | Software without restriction, including without limitation the rights to use, copy, 131 | modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, 132 | and to permit persons to whom the Software is furnished to do so, subject to the 133 | following conditions: 134 | 135 | The above copyright notice and this permission notice shall be included in all 136 | copies or substantial portions of the Software. 137 | 138 | THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, 139 | INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A 140 | PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT 141 | HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION 142 | OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE 143 | SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. 144 | 145 | -------------------------------------------------------------------------------- 146 | 147 | # Attribution 148 | 149 | Attribution is required by MIT, SIL OFL, and CC BY licenses. Downloaded Font 150 | Awesome Free files already contain embedded comments with sufficient 151 | attribution, so you shouldn't need to do anything additional when using these 152 | files normally. 153 | 154 | We've kept attribution comments terse, so we ask that you do not actively work 155 | to remove them from files, especially code. They're a great way for folks to 156 | learn about Font Awesome. 157 | 158 | -------------------------------------------------------------------------------- 159 | 160 | # Brand Icons 161 | 162 | All brand icons are trademarks of their respective owners. The use of these 163 | trademarks does not indicate endorsement of the trademark holder by Font 164 | Awesome, nor vice versa. **Please do not use brand logos for any purpose except 165 | to represent the company, product, or service to which they refer.** 166 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/js/all.min.js.LICENSE.txt: -------------------------------------------------------------------------------- 1 | /*! 2 | * Font Awesome Free 6.1.2 by @fontawesome - https://fontawesome.com 3 | * License - https://fontawesome.com/license/free (Icons: CC BY 4.0, Fonts: SIL OFL 1.1, Code: MIT License) 4 | * Copyright 2022 Fonticons, Inc. 5 | */ 6 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-brands-400.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-regular-400.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-solid-900.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-v4compatibility.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-v4compatibility.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-v4compatibility.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.1.2/webfonts/fa-v4compatibility.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/LICENSE.txt: -------------------------------------------------------------------------------- 1 | Fonticons, Inc. (https://fontawesome.com) 2 | 3 | -------------------------------------------------------------------------------- 4 | 5 | Font Awesome Free License 6 | 7 | Font Awesome Free is free, open source, and GPL friendly. You can use it for 8 | commercial projects, open source projects, or really almost whatever you want. 9 | Full Font Awesome Free license: https://fontawesome.com/license/free. 10 | 11 | -------------------------------------------------------------------------------- 12 | 13 | # Icons: CC BY 4.0 License (https://creativecommons.org/licenses/by/4.0/) 14 | 15 | The Font Awesome Free download is licensed under a Creative Commons 16 | Attribution 4.0 International License and applies to all icons packaged 17 | as SVG and JS file types. 18 | 19 | -------------------------------------------------------------------------------- 20 | 21 | # Fonts: SIL OFL 1.1 License 22 | 23 | In the Font Awesome Free download, the SIL OFL license applies to all icons 24 | packaged as web and desktop font files. 25 | 26 | Copyright (c) 2024 Fonticons, Inc. (https://fontawesome.com) 27 | with Reserved Font Name: "Font Awesome". 28 | 29 | This Font Software is licensed under the SIL Open Font License, Version 1.1. 30 | This license is copied below, and is also available with a FAQ at: 31 | http://scripts.sil.org/OFL 32 | 33 | SIL OPEN FONT LICENSE 34 | Version 1.1 - 26 February 2007 35 | 36 | PREAMBLE 37 | The goals of the Open Font License (OFL) are to stimulate worldwide 38 | development of collaborative font projects, to support the font creation 39 | efforts of academic and linguistic communities, and to provide a free and 40 | open framework in which fonts may be shared and improved in partnership 41 | with others. 42 | 43 | The OFL allows the licensed fonts to be used, studied, modified and 44 | redistributed freely as long as they are not sold by themselves. The 45 | fonts, including any derivative works, can be bundled, embedded, 46 | redistributed and/or sold with any software provided that any reserved 47 | names are not used by derivative works. The fonts and derivatives, 48 | however, cannot be released under any other type of license. The 49 | requirement for fonts to remain under this license does not apply 50 | to any document created using the fonts or their derivatives. 51 | 52 | DEFINITIONS 53 | "Font Software" refers to the set of files released by the Copyright 54 | Holder(s) under this license and clearly marked as such. This may 55 | include source files, build scripts and documentation. 56 | 57 | "Reserved Font Name" refers to any names specified as such after the 58 | copyright statement(s). 59 | 60 | "Original Version" refers to the collection of Font Software components as 61 | distributed by the Copyright Holder(s). 62 | 63 | "Modified Version" refers to any derivative made by adding to, deleting, 64 | or substituting — in part or in whole — any of the components of the 65 | Original Version, by changing formats or by porting the Font Software to a 66 | new environment. 67 | 68 | "Author" refers to any designer, engineer, programmer, technical 69 | writer or other person who contributed to the Font Software. 70 | 71 | PERMISSION & CONDITIONS 72 | Permission is hereby granted, free of charge, to any person obtaining 73 | a copy of the Font Software, to use, study, copy, merge, embed, modify, 74 | redistribute, and sell modified and unmodified copies of the Font 75 | Software, subject to the following conditions: 76 | 77 | 1) Neither the Font Software nor any of its individual components, 78 | in Original or Modified Versions, may be sold by itself. 79 | 80 | 2) Original or Modified Versions of the Font Software may be bundled, 81 | redistributed and/or sold with any software, provided that each copy 82 | contains the above copyright notice and this license. These can be 83 | included either as stand-alone text files, human-readable headers or 84 | in the appropriate machine-readable metadata fields within text or 85 | binary files as long as those fields can be easily viewed by the user. 86 | 87 | 3) No Modified Version of the Font Software may use the Reserved Font 88 | Name(s) unless explicit written permission is granted by the corresponding 89 | Copyright Holder. This restriction only applies to the primary font name as 90 | presented to the users. 91 | 92 | 4) The name(s) of the Copyright Holder(s) or the Author(s) of the Font 93 | Software shall not be used to promote, endorse or advertise any 94 | Modified Version, except to acknowledge the contribution(s) of the 95 | Copyright Holder(s) and the Author(s) or with their explicit written 96 | permission. 97 | 98 | 5) The Font Software, modified or unmodified, in part or in whole, 99 | must be distributed entirely under this license, and must not be 100 | distributed under any other license. The requirement for fonts to 101 | remain under this license does not apply to any document created 102 | using the Font Software. 103 | 104 | TERMINATION 105 | This license becomes null and void if any of the above conditions are 106 | not met. 107 | 108 | DISCLAIMER 109 | THE FONT SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, 110 | EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO ANY WARRANTIES OF 111 | MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT 112 | OF COPYRIGHT, PATENT, TRADEMARK, OR OTHER RIGHT. IN NO EVENT SHALL THE 113 | COPYRIGHT HOLDER BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, 114 | INCLUDING ANY GENERAL, SPECIAL, INDIRECT, INCIDENTAL, OR CONSEQUENTIAL 115 | DAMAGES, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING 116 | FROM, OUT OF THE USE OR INABILITY TO USE THE FONT SOFTWARE OR FROM 117 | OTHER DEALINGS IN THE FONT SOFTWARE. 118 | 119 | -------------------------------------------------------------------------------- 120 | 121 | # Code: MIT License (https://opensource.org/licenses/MIT) 122 | 123 | In the Font Awesome Free download, the MIT license applies to all non-font and 124 | non-icon files. 125 | 126 | Copyright 2024 Fonticons, Inc. 127 | 128 | Permission is hereby granted, free of charge, to any person obtaining a copy of 129 | this software and associated documentation files (the "Software"), to deal in the 130 | Software without restriction, including without limitation the rights to use, copy, 131 | modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, 132 | and to permit persons to whom the Software is furnished to do so, subject to the 133 | following conditions: 134 | 135 | The above copyright notice and this permission notice shall be included in all 136 | copies or substantial portions of the Software. 137 | 138 | THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, 139 | INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A 140 | PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT 141 | HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION 142 | OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE 143 | SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. 144 | 145 | -------------------------------------------------------------------------------- 146 | 147 | # Attribution 148 | 149 | Attribution is required by MIT, SIL OFL, and CC BY licenses. Downloaded Font 150 | Awesome Free files already contain embedded comments with sufficient 151 | attribution, so you shouldn't need to do anything additional when using these 152 | files normally. 153 | 154 | We've kept attribution comments terse, so we ask that you do not actively work 155 | to remove them from files, especially code. They're a great way for folks to 156 | learn about Font Awesome. 157 | 158 | -------------------------------------------------------------------------------- 159 | 160 | # Brand Icons 161 | 162 | All brand icons are trademarks of their respective owners. The use of these 163 | trademarks does not indicate endorsement of the trademark holder by Font 164 | Awesome, nor vice versa. **Please do not use brand logos for any purpose except 165 | to represent the company, product, or service to which they refer.** 166 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/js/all.min.js.LICENSE.txt: -------------------------------------------------------------------------------- 1 | /*! 2 | * Font Awesome Free 6.5.2 by @fontawesome - https://fontawesome.com 3 | * License - https://fontawesome.com/license/free (Icons: CC BY 4.0, Fonts: SIL OFL 1.1, Code: MIT License) 4 | * Copyright 2024 Fonticons, Inc. 5 | */ 6 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-brands-400.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-regular-400.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-solid-900.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.ttf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.ttf -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.woff2: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/_static/vendor/fontawesome/6.5.2/webfonts/fa-v4compatibility.woff2 -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/_static/webpack-macros.html: -------------------------------------------------------------------------------- 1 | 5 | {# Load FontAwesome icons #} 6 | {% macro head_pre_icons() %} 7 | 8 | 9 | 10 | 11 | {% endmacro %} 12 | 13 | {% macro head_pre_assets() %} 14 | 15 | 16 | 17 | 18 | {% endmacro %} 19 | 20 | {% macro head_js_preload() %} 21 | 22 | 23 | 24 | 25 | {% endmacro %} 26 | 27 | {% macro body_post() %} 28 | 29 | 30 | 31 | {% endmacro %} -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/index.html: -------------------------------------------------------------------------------- 1 | 2 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/objects.inv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/html/objects.inv -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/html/searchindex.js: -------------------------------------------------------------------------------- 1 | Search.setIndex({"alltitles": {"Change the force field": [[2, "change-the-force-field"]], "DFT?": [[2, "dft"]], "Elastic workflow": [[0, null]], "Let\u2019s execute the workflow": [[0, "let-s-execute-the-workflow"], [2, "let-s-execute-the-workflow"]], "Let\u2019s have a look at the computing jobs": [[0, "let-s-have-a-look-at-the-computing-jobs"], [2, "let-s-have-a-look-at-the-computing-jobs"]], "Let\u2019s have a look at the outputs": [[0, "let-s-have-a-look-at-the-outputs"], [2, "let-s-have-a-look-at-the-outputs"]], "Let\u2019s start with the workflow": [[0, "let-s-start-with-the-workflow"], [2, "let-s-start-with-the-workflow"]], "Note on levels of theory": [[2, "note-on-levels-of-theory"]], "Phonon workflow": [[2, null]], "Welcome to a tutorial on atomate2 in connection with universal ML potentials": [[1, null]]}, "docnames": ["elastic", "intro", "phonon"], "envversion": {"sphinx": 62, "sphinx.domains.c": 3, "sphinx.domains.changeset": 1, "sphinx.domains.citation": 1, "sphinx.domains.cpp": 9, "sphinx.domains.index": 1, "sphinx.domains.javascript": 3, "sphinx.domains.math": 2, "sphinx.domains.python": 4, "sphinx.domains.rst": 2, "sphinx.domains.std": 2, "sphinx.ext.intersphinx": 1, "sphinxcontrib.bibtex": 9}, "filenames": ["elastic.ipynb", "intro.md", "phonon.ipynb"], "indexentries": {}, "objects": {}, "objnames": {}, "objtypes": {}, "terms": {"0": [0, 2], "00001": [0, 2], "012001": 2, "05": 0, "0579531677767368e": 0, "0579531677767372e": 0, "06": 0, "07": 0, "09764127632641656": 0, "09764127632641659": 0, "1": [0, 2], "10": 2, "11": [0, 2], "115": 0, "119426124": 0, "12643575730690002": 0, "12643575730690004": 0, "12998791559116": 0, "12998791559117": 0, "13000784632264": 0, "13000784632267": 0, "13003478218025": 0, "15": 2, "158386258075467e": 0, "158386258084771e": 0, "16": 0, "170161332629465e": 0, "170161332630009e": 0, "18": 0, "1964042": 0, "1964043": 0, "1964044": 0, "196414": 0, "2": [0, 2], "21": [0, 2], "25": [0, 2], "27": 0, "274317331366699e": 0, "274317331391944e": 0, "292464": 0, "3": 0, "35786479": 0, "35947": 0, "3636397802114065": 0, "389943344694814": 0, "392802": 0, "4": 0, "403717339939713e": 0, "4037173399407686e": 0, "414301115201581e": 0, "414301115202968e": 0, "42554919": 0, "42554938": 0, "434144813096356": 0, "434149038558008": 0, "434154427743533": 0, "44905979116": 0, "4957294029": 0, "5": 0, "535678567562903": 0, "57537187694": 0, "5916081580179325": 0, "5916081580179327": 0, "6176186209065425e": 0, "617618620915702e": 0, "62027613331": 0, "631801": 0, "6381676111": 0, "6522743432": 0, "653544113": 0, "654734": 0, "6548138828": 0, "7": 0, "71700": 0, "73": [0, 2], "7566": 2, "76156133557427": 0, "79": 0, "7930349563": 0, "8": 0, "80": 0, "8244994986": 0, "90": 0, "92": 2, "944080301946": 0, "956572730741188e": 0, "956572730741239e": 0, "98265761082": 0, "983617891299374e": 0, "983617891322431e": 0, "99458211314227": 0, "A": 1, "ASE": 1, "And": 0, "As": [0, 2], "For": 0, "If": [0, 1, 2], "It": [1, 2], "The": [0, 2], "__class__": 0, "__name__": 0, "about": [0, 2], "access": 0, "accur": 1, "add_do": 2, "again": 2, "also": 2, "an": 0, "analyt": [0, 2], "analyz": 0, "ani": 1, "approach": [0, 2], "ar": [0, 1, 2], "articl": 0, "atomate2": [0, 2], "attribut": 0, "auto": [0, 2], "autonotebook": [0, 2], "awar": 1, "ax": 2, "b": 2, "bam": 1, "band": 2, "bandstructur": 2, "base": [0, 1, 2], "basic": 1, "been": 1, "born": [0, 2], "bs_plot": 2, "build": 1, "bulk": [0, 2], "bulk_relax_mak": [0, 2], "cahill_thermalcond": 0, "can": [0, 1, 2], "captur": [0, 2], "carefulli": 2, "cedergrouphub": 0, "chang": 0, "charg": [0, 2], "check": [0, 2], "chgnet": [0, 1, 2], "clark_thermalcond": 0, "code": 1, "com": 0, "completed_at": [0, 2], "composit": 1, "connect": [0, 2], "coord": [0, 2], "core": [0, 2], "correct": [0, 2], "could": 1, "create_fold": [0, 2], "current": [0, 1, 2], "databas": [0, 2], "debye_temperatur": 0, "default": [0, 2], "deprec": 0, "deprecationwarn": 0, "deriv": 0, "derived_properti": 0, "develop": 2, "dict": 0, "differ": 0, "displac": [0, 2], "do": 2, "doc": 0, "document": 0, "doi": 2, "don": [0, 2], "dos_plot": 2, "draw_graph": [0, 2], "easili": 2, "elast": 1, "elastic_flow": 0, "elastic_relax_mak": 0, "elastic_tensor": 0, "elasticmak": 0, "en": [0, 2], "env": [0, 2], "exampl": 1, "execut": 1, "exit": 2, "fals": [0, 2], "featur": 1, "few": 1, "field": 0, "finit": 2, "first": [0, 2], "fit_elastic_tensor": 0, "flow": [0, 2], "fmax": [0, 2], "follow": 0, "forc": 0, "forcefield": [0, 2], "format": 0, "found": [0, 2], "frequenc": 2, "from": [0, 1, 2], "from_dict": 2, "g_reuss": 0, "g_voigt": 0, "g_vrh": 0, "gap": [1, 2], "gener": [0, 2], "generate_frequencies_eigenvector": 2, "georg": 1, "get": [0, 2], "get_plot": 2, "get_primitive_standard_structur": 0, "ha": 1, "here": [0, 2], "home": [0, 2], "homogeneous_poisson": 0, "how": 2, "html": [0, 2], "http": [0, 2], "i": [0, 1, 2], "ieee_format": 0, "illustr": 1, "implement": 2, "import": [0, 2], "initi": 2, "instal": [0, 2], "instead": 0, "interest": 2, "interfac": [0, 1, 2], "intern": 0, "io": [0, 2], "iprogress": [0, 2], "ipywidget": [0, 2], "j": 1, "jgeorg": [0, 2], "job_stor": [0, 2], "jobflow": [0, 2], "jpsj": 2, "jupyt": [0, 2], "k_reuss": 0, "k_voigt": 0, "k_vrh": 0, "kei": 0, "label": 2, "latest": [0, 2], "lattic": [0, 2], "lib": [0, 2], "line": 1, "load": [0, 2], "long_v": 0, "m3gnet": [0, 1, 2], "m3gnetrelaxmak": [0, 2], "m3gnetstaticmak": 2, "make": [0, 2], "materi": [0, 2], "materialsproject": 0, "mathrm": 2, "methodologi": 0, "might": 2, "min_length": 2, "miniconda3": [0, 2], "ml": [0, 2], "moduli": 0, "more": [0, 2], "naik": 1, "name": [0, 2], "natur": 0, "need": [0, 2], "non": [0, 2], "none": [0, 2], "notebook_tqdm": [0, 2], "now": [0, 2], "number": 0, "object": 2, "org": [0, 2], "other": [1, 2], "our": [0, 1, 2], "out": 0, "own": 1, "packag": [0, 2], "paper": 2, "perform": [0, 2], "ph_b": 2, "ph_do": 2, "phonon": [0, 1], "phonon_bandstructur": 2, "phonon_displacement_mak": 2, "phonon_do": 2, "phonon_flow": 2, "phononbandstructuresymmlin": 2, "phononbsplott": 2, "phonondo": 2, "phonondosplott": 2, "phononmak": 2, "phonopi": 2, "pip": [0, 2], "pleas": [0, 1, 2], "plot": 2, "plotter": 2, "potenti": [0, 2], "print": 0, "promis": 2, "properti": [0, 2], "provid": 1, "public": 0, "py": [0, 2], "pymatgen": [0, 2], "python3": [0, 2], "pythonproject1": [0, 2], "queri": [0, 2], "query_on": [0, 2], "read": [0, 2], "readthedoc": [0, 2], "relax": [0, 2], "relax_cel": 0, "relax_kwarg": [0, 2], "relev": [0, 2], "respons": 0, "result": [0, 1, 2], "run": [0, 2], "run_loc": [0, 2], "same": 2, "sdata20159": 0, "see": [0, 2], "self": 0, "set": [0, 2], "should": 1, "show": [0, 2], "si": [0, 2], "simpli": [0, 2], "site": [0, 2], "snyder_ac": 0, "snyder_opt": 0, "snyder_tot": 0, "some": 1, "sort": [0, 2], "spacegroupanalyz": 0, "speci": [0, 2], "specif": 1, "spglib": 0, "spglibdataset": 0, "stabl": [0, 2], "static_energy_mak": 2, "store": [0, 2], "store_force_const": 2, "strain": 0, "stress": 0, "strict": [0, 2], "struct": 2, "structur": [0, 2], "symmetri": 0, "t": [0, 2], "task": 1, "tensor": 0, "term": [0, 2], "thei": 1, "thi": [0, 1, 2], "thz": 2, "togo": 2, "tqdm": [0, 2], "tqdmwarn": [0, 2], "train": 1, "trans_v": 0, "true": [0, 2], "try": 2, "under": 2, "univers": [0, 2], "universal_anisotropi": 0, "updat": [0, 2], "us": [0, 2], "user_instal": [0, 2], "vasp": 2, "vector": 2, "veri": [1, 2], "version": 0, "visual": 2, "wai": [0, 2], "want": [0, 1, 2], "warn": 0, "wave": 2, "we": [0, 1, 2], "while": 2, "workflow": 1, "written": 1, "www": 0, "xlabel": 2, "y_mod": 0, "ylabel": 2, "you": [0, 1, 2]}, "titles": ["Elastic workflow", "Welcome to a tutorial on atomate2 in connection with universal ML potentials", "Phonon workflow"], "titleterms": {"": [0, 2], "atomate2": 1, "chang": 2, "comput": [0, 2], "connect": 1, "dft": 2, "elast": 0, "execut": [0, 2], "field": 2, "forc": 2, "have": [0, 2], "job": [0, 2], "let": [0, 2], "level": 2, "look": [0, 2], "ml": 1, "note": 2, "output": [0, 2], "phonon": 2, "potenti": 1, "start": [0, 2], "theori": 2, "tutori": 1, "univers": 1, "welcom": 1, "workflow": [0, 2]}}) -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/099a163cc2f301ba80df2c9ca6dd07025721a05eedade187fda00582a6a01b81.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/099a163cc2f301ba80df2c9ca6dd07025721a05eedade187fda00582a6a01b81.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/1fff39f359e80d765350bec6f601e5f4db238dacbb31821181dcc61e7ca84f4b.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/1fff39f359e80d765350bec6f601e5f4db238dacbb31821181dcc61e7ca84f4b.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/251e0f352daa3078e71d97324a659bbd8763185ad096490cdb77b633a7116423.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/251e0f352daa3078e71d97324a659bbd8763185ad096490cdb77b633a7116423.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/384e013c0a74bf207b2da5cee063ee49404933b63664ce0b25dc55ff34efd6a2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/384e013c0a74bf207b2da5cee063ee49404933b63664ce0b25dc55ff34efd6a2.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/44fe8442a6a7a64075f6282985aa04e9f9702b47e5f812e115a18605cc78e1de.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/44fe8442a6a7a64075f6282985aa04e9f9702b47e5f812e115a18605cc78e1de.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/5a893cad14c1c6c749b6ddc36b0bcb1ea5f7636668c04f25840d3601731b3d21.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/5a893cad14c1c6c749b6ddc36b0bcb1ea5f7636668c04f25840d3601731b3d21.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/74218657ddb698c606d0c6c9eaf718ebd53c528084942ebc471ef7509d9429b2.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/74218657ddb698c606d0c6c9eaf718ebd53c528084942ebc471ef7509d9429b2.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/7e4aa85b4791cde2e6d1587bea857939c65143093c55e9661b56ad1bdc19db6e.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/7e4aa85b4791cde2e6d1587bea857939c65143093c55e9661b56ad1bdc19db6e.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/7ed9c64d0c4520ce7dafd4cd05a34250433eab48c6c7b946387736dae3980fa5.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/7ed9c64d0c4520ce7dafd4cd05a34250433eab48c6c7b946387736dae3980fa5.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/83c4a891b190ee768c0121219db8d57d42a26fe99e1b696846834e3a54bb974e.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/83c4a891b190ee768c0121219db8d57d42a26fe99e1b696846834e3a54bb974e.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/c5f81bc8618de1f2318621d161f2aa9cf4fb8d9b2c88997151779bdc24fa4d8b.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/c5f81bc8618de1f2318621d161f2aa9cf4fb8d9b2c88997151779bdc24fa4d8b.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/c77906735b6b4e40de97dcc21fa166e1fa0e07642ec17165b8d3b1b33d60fbfa.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/c77906735b6b4e40de97dcc21fa166e1fa0e07642ec17165b8d3b1b33d60fbfa.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/cd230ed20f0123c6b0c83c184019747e351d48566641b5f2d3b8108a7d7b71cd.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/cd230ed20f0123c6b0c83c184019747e351d48566641b5f2d3b8108a7d7b71cd.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/cfabdab046510d066f02e3ae90d300e5b155ddeed5f74c80dfbd4dbd9d472218.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/cfabdab046510d066f02e3ae90d300e5b155ddeed5f74c80dfbd4dbd9d472218.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/d467fd40c51349d25d45f4bbe5d3cc782c70b7b3d58556f637777392ccbbd327.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/d467fd40c51349d25d45f4bbe5d3cc782c70b7b3d58556f637777392ccbbd327.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/e10d0763fc35ab8ca4168c2e62871028c33f1116c789aea7307e879f0badc563.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/e10d0763fc35ab8ca4168c2e62871028c33f1116c789aea7307e879f0badc563.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_build/jupyter_execute/e59c8414a21243d9433ee013edf86d2e1da63b4f35077519c65f58db37d9f149.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/_build/jupyter_execute/e59c8414a21243d9433ee013edf86d2e1da63b4f35077519c65f58db37d9f149.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_config.yml: -------------------------------------------------------------------------------- 1 | # Book settings 2 | # Learn more at https://jupyterbook.org/customize/config.html 3 | 4 | title: Atomate2 Workflow Tutorial 5 | author: J. George, A. Naik 6 | logo: logo.png 7 | 8 | # Force re-execution of notebooks on each build. 9 | # See https://jupyterbook.org/content/execute.html 10 | execute: 11 | execute_notebooks: force 12 | timeout: 300000 13 | # Define the name of the latex output file for PDF builds 14 | latex: 15 | latex_documents: 16 | targetname: book.tex 17 | 18 | # Add a bibtex file so that we can create citations 19 | bibtex_bibfiles: 20 | - references.bib 21 | 22 | # Information about where the book exists on the web 23 | repository: 24 | url: https://github.com/executablebooks/jupyter-book # Online location of your book 25 | path_to_book: docs # Optional path to your book, relative to the repository root 26 | branch: master # Which branch of the repository should be used when creating links (optional) 27 | 28 | # Add GitHub buttons to your book 29 | # See https://jupyterbook.org/customize/config.html#add-a-link-to-your-repository 30 | html: 31 | use_issues_button: true 32 | use_repository_button: true 33 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/_toc.yml: -------------------------------------------------------------------------------- 1 | # Table of contents 2 | # Learn more at https://jupyterbook.org/customize/toc.html 3 | 4 | format: jb-book 5 | root: intro 6 | chapters: 7 | - file: phonon 8 | - file: elastic 9 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/intro.md: -------------------------------------------------------------------------------- 1 | # Welcome to a tutorial on atomate2 in connection with universal ML potentials 2 | 3 | This tutorial will illustrate some of the basic features of atomate2. This tutorial has been written by J. George and A. Naik from BAM. 4 | 5 | It is build based on workflows that can be executed with universal ML potentials such as [M3GNet](https://doi.org/10.1038/s43588-022-00349-3) and [CHGNet](https://doi.org/10.1038/s42256-023-00716-3). Please be aware that they are not very accurate for these tasks. 6 | 7 | If you want accurate results, you could for example train our own ML potential for a specific composition. We currently provide a GAP interface but any other ML potential that is connected to ASE should be interfaced with a few lines of code. 8 | 9 | ```{tableofcontents} 10 | ``` 11 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/logo.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/JaGeo/TutorialAtomate2Forcefields/6d0fa2fe2f95139b22adba07f7d29bdac332523a/atomate2_workflow_tutorial/logo.png -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/references.bib: -------------------------------------------------------------------------------- 1 | --- 2 | --- 3 | 4 | @inproceedings{holdgraf_evidence_2014, 5 | address = {Brisbane, Australia, Australia}, 6 | title = {Evidence for {Predictive} {Coding} in {Human} {Auditory} {Cortex}}, 7 | booktitle = {International {Conference} on {Cognitive} {Neuroscience}}, 8 | publisher = {Frontiers in Neuroscience}, 9 | author = {Holdgraf, Christopher Ramsay and de Heer, Wendy and Pasley, Brian N. and Knight, Robert T.}, 10 | year = {2014} 11 | } 12 | 13 | @article{holdgraf_rapid_2016, 14 | title = {Rapid tuning shifts in human auditory cortex enhance speech intelligibility}, 15 | volume = {7}, 16 | issn = {2041-1723}, 17 | url = {http://www.nature.com/doifinder/10.1038/ncomms13654}, 18 | doi = {10.1038/ncomms13654}, 19 | number = {May}, 20 | journal = {Nature Communications}, 21 | author = {Holdgraf, Christopher Ramsay and de Heer, Wendy and Pasley, Brian N. and Rieger, Jochem W. and Crone, Nathan and Lin, Jack J. and Knight, Robert T. and Theunissen, Frédéric E.}, 22 | year = {2016}, 23 | pages = {13654}, 24 | file = {Holdgraf et al. - 2016 - Rapid tuning shifts in human auditory cortex enhance speech intelligibility.pdf:C\:\\Users\\chold\\Zotero\\storage\\MDQP3JWE\\Holdgraf et al. - 2016 - Rapid tuning shifts in human auditory cortex enhance speech intelligibility.pdf:application/pdf} 25 | } 26 | 27 | @inproceedings{holdgraf_portable_2017, 28 | title = {Portable learning environments for hands-on computational instruction using container-and cloud-based technology to teach data science}, 29 | volume = {Part F1287}, 30 | isbn = {978-1-4503-5272-7}, 31 | doi = {10.1145/3093338.3093370}, 32 | abstract = {© 2017 ACM. There is an increasing interest in learning outside of the traditional classroom setting. This is especially true for topics covering computational tools and data science, as both are challenging to incorporate in the standard curriculum. These atypical learning environments offer new opportunities for teaching, particularly when it comes to combining conceptual knowledge with hands-on experience/expertise with methods and skills. Advances in cloud computing and containerized environments provide an attractive opportunity to improve the effciency and ease with which students can learn. This manuscript details recent advances towards using commonly-Available cloud computing services and advanced cyberinfrastructure support for improving the learning experience in bootcamp-style events. We cover the benets (and challenges) of using a server hosted remotely instead of relying on student laptops, discuss the technology that was used in order to make this possible, and give suggestions for how others could implement and improve upon this model for pedagogy and reproducibility.}, 33 | booktitle = {{ACM} {International} {Conference} {Proceeding} {Series}}, 34 | author = {Holdgraf, Christopher Ramsay and Culich, A. and Rokem, A. and Deniz, F. and Alegro, M. and Ushizima, D.}, 35 | year = {2017}, 36 | keywords = {Teaching, Bootcamps, Cloud computing, Data science, Docker, Pedagogy} 37 | } 38 | 39 | @article{holdgraf_encoding_2017, 40 | title = {Encoding and decoding models in cognitive electrophysiology}, 41 | volume = {11}, 42 | issn = {16625137}, 43 | doi = {10.3389/fnsys.2017.00061}, 44 | abstract = {© 2017 Holdgraf, Rieger, Micheli, Martin, Knight and Theunissen. Cognitive neuroscience has seen rapid growth in the size and complexity of data recorded from the human brain as well as in the computational tools available to analyze this data. This data explosion has resulted in an increased use of multivariate, model-based methods for asking neuroscience questions, allowing scientists to investigate multiple hypotheses with a single dataset, to use complex, time-varying stimuli, and to study the human brain under more naturalistic conditions. These tools come in the form of “Encoding” models, in which stimulus features are used to model brain activity, and “Decoding” models, in which neural features are used to generated a stimulus output. Here we review the current state of encoding and decoding models in cognitive electrophysiology and provide a practical guide toward conducting experiments and analyses in this emerging field. Our examples focus on using linear models in the study of human language and audition. We show how to calculate auditory receptive fields from natural sounds as well as how to decode neural recordings to predict speech. The paper aims to be a useful tutorial to these approaches, and a practical introduction to using machine learning and applied statistics to build models of neural activity. The data analytic approaches we discuss may also be applied to other sensory modalities, motor systems, and cognitive systems, and we cover some examples in these areas. In addition, a collection of Jupyter notebooks is publicly available as a complement to the material covered in this paper, providing code examples and tutorials for predictive modeling in python. The aimis to provide a practical understanding of predictivemodeling of human brain data and to propose best-practices in conducting these analyses.}, 45 | journal = {Frontiers in Systems Neuroscience}, 46 | author = {Holdgraf, Christopher Ramsay and Rieger, J.W. and Micheli, C. and Martin, S. and Knight, R.T. and Theunissen, F.E.}, 47 | year = {2017}, 48 | keywords = {Decoding models, Encoding models, Electrocorticography (ECoG), Electrophysiology/evoked potentials, Machine learning applied to neuroscience, Natural stimuli, Predictive modeling, Tutorials} 49 | } 50 | 51 | @book{ruby, 52 | title = {The Ruby Programming Language}, 53 | author = {Flanagan, David and Matsumoto, Yukihiro}, 54 | year = {2008}, 55 | publisher = {O'Reilly Media} 56 | } 57 | -------------------------------------------------------------------------------- /atomate2_workflow_tutorial/requirements.txt: -------------------------------------------------------------------------------- 1 | jupyter-book 2 | matplotlib 3 | numpy 4 | -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- 1 | jobflow 2 | pymatgen 3 | ase 4 | phonopy 5 | jupyter-book 6 | 7 | --------------------------------------------------------------------------------