mirror of
https://github.com/triqs/dft_tools
synced 2024-12-25 13:53:40 +01:00
Work on documentation
Included logos, added docuentation thumbnail and organized contents in a way that navigating in the python and c++ reference will be easier. Applications appear in a special sidebar.
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@ -0,0 +1,15 @@
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<p>
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<a href="http://ipht.cea.fr"> <img style="width: 60px; margin: 10px 5px 0 0" src='_static/logo_cea.png' alt="CEA"/> </a>
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||||||
|
<a href="http://www.cpht.polytechnique.fr"> <img style="width: 60px; margin: 10px 5px 0 5px" src='_static/logo_x.png' alt="Ecole Polytechnique"/> </a>
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<a href="http://www.cnrs.fr"> <img style="width: 60px; margin: 10px 0 0 5px" src='_static/logo_cnrs.png' alt="CNRS"/> </a>
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</p>
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<h3>TRIQS applications</h3>
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<p>
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Some applications are supported by the TRIQS collaboration,
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<a class="reference external" href="{{ pathto("applications") }}">check them out!</a>
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Note that you can obtain
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<a class="reference external" href="{{ pathto("bundles") }}">bundled sources</a>
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that contain both the TRIQS library and the supported applications.
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</p>
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@ -11,7 +11,9 @@ Wien2TRIQS is an interface to Wien2k for LDA+DMFT calculation. It allows
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you to turn band-structure calculations obtained from the Wien2k package to
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you to turn band-structure calculations obtained from the Wien2k package to
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inputs to full-fledged LDA+DMFT calculations in a few lines!
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inputs to full-fledged LDA+DMFT calculations in a few lines!
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More info `here <http://ipht.cea.fr/triqs/new/cthyb_matrix/contents.html>`_.
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| *Homepage:* `<http://ipht.cea.fr/triqs/new/dft_tools/index.html>`_
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| *Documentation:* `<http://ipht.cea.fr/triqs/new/dft_tools/documentation.html>`_
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| *Installation:* `<http://ipht.cea.fr/triqs/new/dft_tools/install.html>`_
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Hybridization-expansion matrix solver
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Hybridization-expansion matrix solver
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-------------------------------------
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-------------------------------------
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@ -21,7 +23,9 @@ of a quantum impurity embedded in a conduction bath. It is based on a quantum
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Monte Carlo algorithm that stochastically samples the diagrams of a
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Monte Carlo algorithm that stochastically samples the diagrams of a
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hybridization expansion of the partition function.
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hybridization expansion of the partition function.
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More info here
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| *Homepage:* `<http://ipht.cea.fr/triqs/new/cthyb_matrix/index.html>`_
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| *Documentation:* `<http://ipht.cea.fr/triqs/new/cthyb_matrix/documentation.html>`_
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| *Installation:* `<http://ipht.cea.fr/triqs/new/cthyb_matrix/install.html>`_
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Hubbard I solver
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Hubbard I solver
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----------------
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----------------
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@ -30,4 +34,6 @@ This solver gives the Hubbard I solution of a quantum impurity problem,
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i.e. it solves the atomic limit. This simple approximation allows to have
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i.e. it solves the atomic limit. This simple approximation allows to have
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very quick answer even for large multiband systems.
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very quick answer even for large multiband systems.
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More info here
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| *Homepage:* `<http://ipht.cea.fr/triqs/new/hubbardI/index.html>`_
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| *Documentation:* `<http://ipht.cea.fr/triqs/new/hubbardI/documentation.html>`_
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| *Installation:* `<http://ipht.cea.fr/triqs/new/hubbardI/install.html>`_
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@ -1,4 +1,3 @@
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:orphan:
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Authors
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Authors
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=======
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=======
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@ -1,4 +1,3 @@
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:orphan:
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Reporting bugs
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Reporting bugs
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==============
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==============
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@ -35,7 +35,7 @@ extensions += [
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'matplotlib.sphinxext.only_directives',
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'matplotlib.sphinxext.only_directives',
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'plot_directive',
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'plot_directive',
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# 'matplotlib.sphinxext.ipython_directive',
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# 'matplotlib.sphinxext.ipython_directive',
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# 'ipython_console_highlighting',
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'ipython_console_highlighting',
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# 'inheritance_diagram',
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# 'inheritance_diagram',
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'numpydoc']
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'numpydoc']
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@ -61,7 +61,7 @@ autoclass_content = "both"
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mathjax_path = "@MATHJAX_PATH@/MathJax.js?config=default"
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mathjax_path = "@MATHJAX_PATH@/MathJax.js?config=default"
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# Add any paths that contain templates here, relative to this directory.
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# Add any paths that contain templates here, relative to this directory.
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#templates_path = ['@TRIQS_SOURCE_DIR@/doc/_templates']
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templates_path = ['@TRIQS_SOURCE_DIR@/doc/_templates']
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# The suffix of source filenames.
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# The suffix of source filenames.
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source_suffix = '.rst'
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source_suffix = '.rst'
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@ -74,7 +74,7 @@ master_doc = 'contents'
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# General information about the project.
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# General information about the project.
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project = u'TRIQS'
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project = u'TRIQS'
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copyright = u'2011, The TRIQS collaboration'
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copyright = u'2011-2013, The TRIQS collaboration'
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# The version info for the project you're documenting, acts as replacement for
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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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# |version| and |release|, also used in various other places throughout the
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@ -83,7 +83,7 @@ copyright = u'2011, The TRIQS collaboration'
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# The short X.Y version.
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# The short X.Y version.
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version = '1.0'
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version = '1.0'
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# The full version, including alpha/beta/rc tags.
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# The full version, including alpha/beta/rc tags.
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release = '1.0'
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release = '1.0.0'
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# The language for content autogenerated by Sphinx. Refer to documentation
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# The language for content autogenerated by Sphinx. Refer to documentation
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# for a list of supported languages.
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# for a list of supported languages.
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@ -144,6 +144,7 @@ doxylink = { 'doxy' : ('@CMAKE_CURRENT_BINARY_DIR@/doxy.tag', 'doxy_triqs') }
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#html_style = 'default.css'
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#html_style = 'default.css'
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html_theme_path = ["@TRIQS_SOURCE_DIR@/doc/themes/"]
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html_theme_path = ["@TRIQS_SOURCE_DIR@/doc/themes/"]
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html_theme = "triqs"
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html_theme = "triqs"
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html_show_sphinx = False
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#html_theme_options = { "pagewidth": "80em", "documentwidth" : "60em" }
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#html_theme_options = { "pagewidth": "80em", "documentwidth" : "60em" }
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@ -166,11 +167,11 @@ html_theme = "triqs"
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# Add any paths that contain custom static files (such as style sheets) here,
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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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# 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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# so a file named "default.css" will overwrite the builtin "default.css".
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#html_static_path = ['@TRIQS_SOURCE_DIR@/doc/_static']
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html_static_path = ['@TRIQS_SOURCE_DIR@/doc/_static']
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# If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
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# If not '', a 'Last updated on:' timestamp is inserted at every page bottom,
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# using the given strftime format.
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# using the given strftime format.
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html_last_updated_fmt = '%b %d, %Y'
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#html_last_updated_fmt = '%b %d, %Y'
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# If true, SmartyPants will be used to convert quotes and dashes to
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# If true, SmartyPants will be used to convert quotes and dashes to
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# typographically correct entities.
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# typographically correct entities.
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@ -178,6 +179,7 @@ html_last_updated_fmt = '%b %d, %Y'
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# Custom sidebar templates, maps document names to template names.
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# Custom sidebar templates, maps document names to template names.
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#html_sidebars = {}
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#html_sidebars = {}
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html_sidebars = {'index': ['sideb.html', 'searchbox.html']}
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# Additional templates that should be rendered to pages, maps page names to
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# Additional templates that should be rendered to pages, maps page names to
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# template names.
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# template names.
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@ -1,14 +1,15 @@
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.. _documentation:
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Table of contents
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Table of contents
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=================
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=================
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.. toctree::
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.. toctree::
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:maxdepth: 2
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:maxdepth: 2
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index
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install
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documentation
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applications
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bundles
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bugs
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authors
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overview
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installation/install
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tutorials/contents
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reference/python/contents
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reference/c++/contents
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29
doc/documentation.rst
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doc/documentation.rst
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.. _documentation:
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Documentation
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=============
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A quick tour
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------------
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.. toctree::
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:maxdepth: 1
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overview
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tutorials/contents
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C++ libraries
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-------------
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.. toctree::
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:maxdepth: 1
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reference/c++/contents
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Python modules
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--------------
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.. toctree::
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:maxdepth: 1
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reference/python/contents
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@ -1,27 +1,51 @@
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Welcome to TRIQS
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.. _welcome:
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================
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Welcome
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=======
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TRIQS is a scientific project that provides a set of tools for the study of
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TRIQS is a scientific project that provides a set of tools for the study of
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interacting quantum systems. It allows to quickly implement many-body
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interacting quantum systems. It allows to quickly implement many-body
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calculations and explore new theoretical and phenomenological ideas within a
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calculations and explore new theoretical and phenomenological ideas within a
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flexible, easy-to-use python environment (à la Matlab).
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flexible, easy-to-use python environment (à la Matlab).
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Documentation
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Powerful c++ libraries
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=============
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----------------------
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Link to :ref:`documentation <documentation>`.
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.. code-block:: c++
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TRIQS-based applications
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#include <triqs/arrays.hpp>
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========================
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#include <triqs/arrays/linalg/inverse.hpp>
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#include <triqs/arrays/linalg/determinant.hpp>
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Some applications are supported by the TRIQS collaboration.
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using triqs::arrays::array; using triqs::arrays::matrix; using triqs::clef::placeholder;
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Link to :ref:`applications <applications>`.
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int main(){
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placeholder<0> i_;
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placeholder<1> j_;
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matrix<double> A(2,2);
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A(i_,j_) << i_+j_;
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Download
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matrix<double> B = inverse(A);
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========
|
double C = determinant(A);
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From git as described in :ref:`install <installation>`.
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std::cout << "A^(-1) = "<< B << std::endl;
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|
std::cout << "det(A) = " <<C <<std::endl;
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|
}
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|
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Or get a :ref:`bundled version <bundles>` which provides both the
|
User-friendly python interface
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TRIQS library and all supported applications.
|
------------------------------
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|
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.. plot::
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:include-source:
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:scale: 70
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from pytriqs.gf.local import *
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g = GfReFreq(indices = ['s','d'], window = [-2,2], n_points = 1000)
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g['d','d'] = Omega - 0.3
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g['d','s'] = 0.2
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g['s','d'] = 0.2
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g['s','s'] = inverse( Wilson(1.0) )
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g.invert()
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from pytriqs.plot.mpl_interface import oplot
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oplot( g['d','d'], '-o', RI = 'S', x_window = (-1.8,1.8), name = "Impurity" )
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oplot( g['s','s'], '-x', RI = 'S', x_window = (-1.8,1.8), name = "Bath" )
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C++ librairies
|
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||||||
##########################
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C++ libraries
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|
=============
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|
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.. toctree::
|
.. toctree::
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:maxdepth: 1
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:maxdepth: 1
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@ -13,3 +14,4 @@ C++ librairies
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parameters/parameters
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parameters/parameters
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||||||
lectures/contents
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lectures/contents
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utilities/contents
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utilities/contents
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||||||
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@ -1,8 +0,0 @@
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* At lower level, a few general purpose libraries in Python and C++, e.g. :
|
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|
|
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* A new C++ multi-dimensional array library (triqs::arrays).
|
|
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* A simple dictionary-like python :ref:`interface to HDF5 files<hdf5_base>`, which is the main data format in TRIQS.
|
|
||||||
* A thin :ref:`interface to matplotlib<plotting>` to visualize various objects via the definition of a :ref:`plot protocol<plotting>`.
|
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@ -1,23 +1,12 @@
|
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|
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.. role:: red
|
|
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||||||
.. index:: contents
|
|
||||||
|
|
||||||
.. _contents:
|
|
||||||
|
|
||||||
Python libraries
|
Python libraries
|
||||||
================================
|
================
|
||||||
|
|
||||||
.. toctree::
|
.. toctree::
|
||||||
:maxdepth: 2
|
:maxdepth: 1
|
||||||
|
|
||||||
introduction/introduction
|
|
||||||
install/install
|
|
||||||
green/green
|
green/green
|
||||||
|
operators/operators
|
||||||
lattice/lattice
|
lattice/lattice
|
||||||
data_analysis/contents
|
data_analysis/contents
|
||||||
solvers/solvers
|
|
||||||
wien2k/wien2k
|
|
||||||
faq/faq
|
|
||||||
collaboration/collaboration
|
|
||||||
legal/legal
|
|
||||||
|
14
doc/themes/triqs/layout.html
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{% endblock %}
|
{% endblock %}
|
||||||
|
|
||||||
{% block rootrellink %}
|
{% block rootrellink %}
|
||||||
{% if hasdoc('index') %}
|
{% if hasdoc('documentation') %}
|
||||||
<li><a href="{{ pathto('index') }}">Home</a> |</li>
|
<li><a href="{{ pathto('index') }}">Home</a> »</li>
|
||||||
<li><a href="{{ pathto('contents') }}">Documentation</a> »</li>
|
|
||||||
{% else %}
|
{% else %}
|
||||||
<li><a href="{{ pathto('contents') }}">Documentation</a> »</li>
|
<li><a href="{{ pathto('index') }}">Documentation</a> »</li>
|
||||||
{% endif %}
|
{% endif %}
|
||||||
{% endblock %}
|
{% endblock %}
|
||||||
|
|
||||||
@ -46,15 +45,12 @@
|
|||||||
<div class="pageheader">
|
<div class="pageheader">
|
||||||
<ul>
|
<ul>
|
||||||
<li><a href="{{ pathto('install') }}">Install</a></li>
|
<li><a href="{{ pathto('install') }}">Install</a></li>
|
||||||
|
<li><a href="{{ pathto('documentation') }}">Documentation</a></li>
|
||||||
<li><a href="{{ pathto('bugs') }}">Report Bugs</a></li>
|
<li><a href="{{ pathto('bugs') }}">Report Bugs</a></li>
|
||||||
<li><a href="{{ pathto('authors') }}">Authors and Quote</a></li>
|
<li><a href="{{ pathto('authors') }}">Authors and Quote</a></li>
|
||||||
</ul>
|
</ul>
|
||||||
<div>
|
<div>
|
||||||
{% if hasdoc('index') %}
|
<h1 style="padding:0; margin: 10px 0 0 0;"><a class="triqs" href="http://ipht.cea.fr/triqs">TRIQS</a></h1>
|
||||||
<h1 style="padding:0; margin: 10px 0 0 0;"><a class="triqs" href="{{ pathto('index') }}">TRIQS</a></h1>
|
|
||||||
{% else %}
|
|
||||||
<h1 style="padding:0; margin: 10px 0 0 0;"><a class="triqs" href="{{ pathto('contents') }}">TRIQS</a></h1>
|
|
||||||
{% endif %}
|
|
||||||
<span style="font-size: 14px; margin: 0px; padding: 0px;">a Toolbox for Research on Interacting Quantum Systems</span>
|
<span style="font-size: 14px; margin: 0px; padding: 0px;">a Toolbox for Research on Interacting Quantum Systems</span>
|
||||||
</div>
|
</div>
|
||||||
</div>
|
</div>
|
||||||
|
@ -4,7 +4,6 @@ Tutorials
|
|||||||
.. toctree::
|
.. toctree::
|
||||||
:maxdepth: 2
|
:maxdepth: 2
|
||||||
|
|
||||||
intro
|
|
||||||
python/introduction
|
python/introduction
|
||||||
c++/contents
|
c++/contents
|
||||||
|
|
||||||
|
@ -36,5 +36,6 @@ The goal is not to explain them here in details but to quickly show some of TRIQ
|
|||||||
tour2
|
tour2
|
||||||
tour3
|
tour3
|
||||||
tour4
|
tour4
|
||||||
|
ipt/ipt
|
||||||
reading
|
reading
|
||||||
|
|
||||||
|
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Reference in New Issue
Block a user