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tberkeltberkel
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Change to PyData Sphinx Theme
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‎requirements.txt‎

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Pygments==2.15.0
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# MarkupSafe 2.1.1 breaks Jinja2 2.10.1
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MarkupSafe==2.0.1
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pydata-sphinx-theme
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myst-parser
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sphinx_design
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source/_static/css/pyscf.css renamed to source/_static/css/pyscf-material.css

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‎source/_static/css/pyscf-pst.css‎

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:root {
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--pyscf-primary: #3677e0;
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--pyscf-accent: #3677e0;
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}
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html[data-theme="light"] {
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--pst-color-primary: var(--pyscf-primary);
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--pst-color-secondary: var(--pyscf-accent);
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}
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html[data-theme="dark"] {
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--pst-color-primary: var(--pyscf-primary);
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--pst-color-secondary: var(--pyscf-accent);
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}

‎source/conf.py‎

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# import os
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import sys
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# import ablog
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from datetime import datetime
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from pyscf import __version__
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sys.path.append("./source/tools/extensions")
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# -- General ABlog Options ----------------------------------------------------
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# A path relative to the configuration directory for blog archive pages.
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# blog_path = 'blog'
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# The "title" for the blog, used in active pages. Default is ``'Blog'``.
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blog_title = u"PySCF Docs"
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# Base URL for the website, required for generating feeds.
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# e.g. blog_baseurl = "http://example.com/"
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blog_baseurl = u""
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# Choose to archive only post titles. Archiving only titles can speed
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# up project building.
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# blog_archive_titles = False
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# -- Blog Authors, Languages, and Locations -----------------------------------
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# A dictionary of author names mapping to author full display names and
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# links. Dictionary keys are what should be used in ``post`` directive
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# to refer to the author. Default is ``{}``.
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blog_authors = {"James E. T. Smith": ("James E. T. Smith", None)}
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# A dictionary of language code names mapping to full display names and
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# links of these languages. Similar to :confval:`blog_authors`, dictionary
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# keys should be used in ``post`` directive to refer to the locations.
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# Default is ``{}``.
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# blog_languages = {
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# 'en': ('English', None),
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# }
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# A dictionary of location names mapping to full display names and
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# links of these locations. Similar to :confval:`blog_authors`, dictionary
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# keys should be used in ``post`` directive to refer to the locations.
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# Default is ``{}``.
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# blog_locations = {
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# 'Earth': ('The Blue Planet', 'https://en.wikipedia.org/wiki/Earth),
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# }
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# -- Blog Post Related --------------------------------------------------------
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# Format date for a post.
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# post_date_format = '%b %d, %Y'
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# Number of paragraphs (default is ``1``) that will be displayed as an excerpt
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# from the post. Setting this ``0`` will result in displaying no post excerpt
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# in archive pages. This option can be set on a per post basis using
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# post_auto_excerpt = 1
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# Index of the image that will be displayed in the excerpt of the post.
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# Default is ``0``, meaning no image. Setting this to ``1`` will include
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# the first image, when available, to the excerpt. This option can be set
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# on a per post basis using :rst:dir:`post` directive option ``image``.
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# post_auto_image = 0
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# Number of seconds (default is ``5``) that a redirect page waits before
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# refreshing the page to redirect to the post.
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# post_redirect_refresh = 5
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# When ``True``, post title and excerpt is always taken from the section that
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# contains the :rst:dir:`post` directive, instead of the document. This is the
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# behavior when :rst:dir:`post` is used multiple times in a document. Default
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# is ``False``.
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# post_always_section = False
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# When ``False``, the :rst:dir:`orphan` directive is not automatically set
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# for each post. Without this directive, Sphinx will warn about posts that
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# are not explicitly referenced via another document. :rst:dir:`orphan` can
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# be set on a per-post basis as well if this is false. Default is ``True``.
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# post_auto_orphan = True
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# -- ABlog Sidebars -------------------------------------------------------
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# There are seven sidebars you can include in your HTML output.
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# postcard.html provides information regarding the current post.
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# recentposts.html lists most recent five posts. Others provide
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# a link to a archive pages generated for each tag, category, and year.
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# In addition, there are authors.html, languages.html, and locations.html
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# sidebars that link to author and location archive pages.
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html_sidebars = {
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"**": [
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# "about.html",
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# "postcard.html",
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# "navigation.html",
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# "recentposts.html",
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# "tagcloud.html",
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# "categories.html",
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# "archives.html",
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"searchbox.html",
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"logo-text.html",
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"globaltoc.html",
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"localtoc.html",
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],
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#"index": [
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# "searchbox.html",
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# #"logo-text.html",
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#]
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}
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# -- Blog Feed Options --------------------------------------------------------
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# Turn feeds by setting :confval:`blog_baseurl` configuration variable.
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# Choose to create feeds per author, location, tag, category, and year,
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# default is ``False``.
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# blog_feed_archives = False
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# Choose to display full text in blog feeds, default is ``False``.
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# blog_feed_fulltext = False
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# Blog feed subtitle, default is ``None``.
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# blog_feed_subtitle = None
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# Choose to feed only post titles, default is ``False``.
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# blog_feed_titles = False
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# Specify number of recent posts to include in feeds, default is ``None``
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# for all posts.
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# blog_feed_length = None
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# -- Font-Awesome Options -----------------------------------------------------
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# ABlog templates will use of Font Awesome icons if one of the following
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# is ``True``
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# Link to `Font Awesome`_ at `Bootstrap CDN`_ and use icons in sidebars
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# and post footers. Default: ``None``
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# fontawesome_link_cdn = None
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# Sphinx_ theme already links to `Font Awesome`_. Default: ``False``
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# fontawesome_included = False
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# Alternatively, you can provide the path to `Font Awesome`_ :file:`.css`
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# with the configuration option: fontawesome_css_file
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# Path to `Font Awesome`_ :file:`.css` (default is ``None``) that will
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# be linked to in HTML output by ABlog.
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# fontawesome_css_file = None
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# -- Disqus Integration -------------------------------------------------------
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# You can enable Disqus_ by setting ``disqus_shortname`` variable.
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# Disqus_ short name for the blog.
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# disqus_shortname = None
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# Choose to disqus pages that are not posts, default is ``False``.
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# disqus_pages = False
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# Choose to disqus posts that are drafts (without a published date),
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# default is ``False``.
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# disqus_drafts = False
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# -- Sphinx Options -----------------------------------------------------------
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# If your project needs a minimal Sphinx version, state it here.
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"sphinxcontrib.bibtex",
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"nbsphinx",
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"pyscfdocext",
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# "ablog",
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"myst_parser",
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"sphinx_design",
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# "gallery_directive",
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]
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bibtex_bibfiles = ['user/ref.bib']
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myst_update_mathjax = False
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myst_enable_extensions = [
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"colon_fence",
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"dollarmath",
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]
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# Add any paths that contain templates here, relative to this directory.
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templates_path = ["_templates"]
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# templates_path = ["_templates", ablog.get_html_templates_path()]
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# The suffix(es) of source filenames.
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source_suffix = {
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".rst": "restructuredtext",
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# ".txt": "markdown",
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# ".md": "markdown",
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}
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# The encoding of source files.
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# source_encoding = 'utf-8-sig'
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# General information about the project.
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project = u"PySCF"
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copyright = u"2015-2021, The PySCF Developers"
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year = datetime.now().year
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copyright = f"{year}, The PySCF Developers"
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# The version info for the project you're documenting, acts as replacement for
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# |version| and |release|, also used in various other places throughout the
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# -- Options for HTML output ----------------------------------------------
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# Add any paths that contain custom static files (such as style sheets) here,
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# relative to this directory. They are copied after the builtin static files,
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# so a file named "default.css" will overwrite the builtin "default.css".
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html_static_path = ["_static"]
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# The theme to use for HTML and HTML Help pages. See the documentation for
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# a list of builtin themes.
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html_theme = "sphinx_material"
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#html_theme = "sphinx_material"
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html_theme = "pydata_sphinx_theme"
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# Theme options are theme-specific and customize the look and feel of a theme
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# further. For a list of options available for each theme, see the
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# documentation.
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html_theme_options = {
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# "github_button": False,
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"repo_name": "PySCF",
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"repo_url": "https://github.com/pyscf/pyscf/",
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"nav_title": "PySCF {0}".format(version),
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#"color_primary": "blue",
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#"color_accent": "amber",
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"color_primary": "pyscf",
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"color_accent": "pyscf",
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"globaltoc_depth": 2,
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"globaltoc_collapse": True,
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"master_doc": False,
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"heroes": {"index": "The Python-based Simulations of Chemistry Framework"},
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"nav_links": [
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{"href": "index", "title": "Home", "internal": True},
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#{"href": "overview", "title": "Overview", "internal": True},
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{"href": "install", "title": "Install", "internal": True},
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{"href": "quickstart", "title": "Quickstart", "internal": True},
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{"href": "user", "title": "User Guide", "internal": True},
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{"href": "develop", "title": "Developer Guide", "internal": True},
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{"href": "pyscf_api_docs/modules", "title": "API", "internal": True},
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# {"href": "blog_wrapper", "title": "Blog", "internal": True},
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{"href": "about", "title": "About", "internal": True},
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],
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"table_classes": ["simple"],
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if html_theme == 'sphinx_material':
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html_css_files = ["css/pyscf-material.css"]
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html_theme_options = {
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# "github_button": False,
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"repo_name": "PySCF",
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"repo_url": "https://github.com/pyscf/pyscf/",
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"nav_title": "PySCF {0}".format(version),
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#"color_primary": "blue",
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#"color_accent": "amber",
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"color_primary": "pyscf",
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"color_accent": "pyscf",
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"globaltoc_depth": 2,
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"globaltoc_collapse": True,
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"master_doc": False,
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"heroes": {"index": "The Python-based Simulations of Chemistry Framework"},
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"nav_links": [
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{"href": "index", "title": "Home", "internal": True},
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#{"href": "overview", "title": "Overview", "internal": True},
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{"href": "install", "title": "Install", "internal": True},
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{"href": "quickstart", "title": "Quickstart", "internal": True},
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{"href": "user", "title": "User Guide", "internal": True},
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{"href": "develop", "title": "Developer Guide", "internal": True},
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{"href": "pyscf_api_docs/modules", "title": "API", "internal": True},
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{"href": "about", "title": "About", "internal": True},
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],
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"table_classes": ["simple"],
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}
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# The name of an image file (relative to this directory) to place at the top
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# of the sidebar.
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html_logo = "../logo/pyscf-logo-white.svg"
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if html_theme == 'pydata_sphinx_theme':
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html_css_files = ["css/pyscf-pst.css"]
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html_context = {
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"github_user": "pyscf",
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"github_repo": "pyscf.github.io",
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"github_version": "master",
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"doc_path": "source",
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}
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html_theme_options = {
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"logo": {
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"text": "PySCF",
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"image_light": "../logo/logo-64x64.png",
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"image_dark": "../logo/logo-64x64.png",
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},
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"show_toc_level": 1,
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"use_edit_page_button": True,
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"secondary_sidebar_items": {
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"**": ["page-toc", "edit-this-page"],
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},
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# "navbar_align": "left",
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}
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html_sidebars = {
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"install": [],
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"quickstart": [],
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"about": [],
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}
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# Add any paths that contain custom themes here, relative to this directory.
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# html_theme_path = [alabaster.get_path()]
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# A shorter title for the navigation bar. Default is the same as html_title.
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#html_short_title = "PySCF"
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# The name of an image file (relative to this directory) to place at the top
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# of the sidebar.
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html_logo = "../logo/pyscf-logo-white.svg"
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# The name of an image file (within the static path) to use as favicon of the
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# docs. This file should be a Windows icon file (.ico) being 16x16 or 32x32
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# pixels large.
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html_favicon = "../logo/favicon-32x32.png"
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# Add any paths that contain custom static files (such as style sheets) here,
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# relative to this directory. They are copied after the builtin static files,
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# so a file named "default.css" will overwrite the builtin "default.css".
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html_static_path = ["_static"]
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html_css_files = ["css/pyscf.css"]
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# Add any extra paths that contain custom files (such as robots.txt or
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# .htaccess) here, relative to this directory. These files are copied
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# directly to the root of the documentation.

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