mkdocs.yml.in

# Mkdocs configuration file. See https://www.mkdocs.org/user-guide/configuration/

site_name: abinit
site_url: https://docs.abinit.org
site_description: Abinit documentation
site_author: The Abinit group
docs_dir: doc

repo_name: github-abinit
repo_url: https://github.com/abinit/abinit/
edit_uri: edit/master/doc/

# If `True`, use `<page_name>/index.hmtl` style files with hyperlinks to
# the directory. If `False`, use `<page_name>.html style file with hyperlinks to the file.
# True generates nicer URLs, but False is useful if browsing the output on a filesystem.
use_directory_urls: True

#pages:  # TODO Should be replaced by nav but then the search plugin does not work (bug?)
nav:
- User Guides:
    #- NewUser: guide/new_user.md
    - NewUser: index.md
    - Abinit: guide/abinit.md
    - Abitk: guide/abitk.md
    - Aim: guide/aim.md
    - Anaddb: guide/anaddb.md
    - aTDEP: guide/atdep.md
    - Cut3d: guide/cut3d.md
    - Fold2Bloch: guide/fold2bloch.md
    - Mrgddb: guide/mrgddb.md
    - Mrgscr: guide/mrgscr.md
    - Multibinit: guide/multibinit.md
    - Optic: guide/optic.md
    - Respfn: guide/respfn.md
    - Spacegroup: guide/spacegroup.md
    - Installation:
        - HowTo: installation.md
        - MacOS: INSTALL_MacOS.md
        - Ubuntu: INSTALL_Ubuntu.md
        - CentOS: INSTALL_CentOS.md
        - EasyBuild: INSTALL_EasyBuild.md
        - GPUs: INSTALL_gpu.md
# The topics should be declared both in this file and in abimkdocs/variables.py
- Topics:
    - Features: topics/features.md
    - Topic List: topics/index.md
    - topics/Abipy.md
    - topics/APPA.md
    - topics/Artificial.md
    - topics/aTDEP.md
    - topics/AtomCentered.md
    - topics/AtomManipulator.md
    - topics/AtomTypes.md
    - topics/Bader.md
    - topics/Band2eps.md
    - topics/Berry.md
    - topics/BandOcc.md
    - topics/BSE.md
    - topics/BoundingProcess.md
    - topics/ConstrainedDFT.md
    - topics/ConstrainedPol.md
    - topics/Control.md
    - topics/Coulomb.md
    - topics/CrossingBarriers.md
    - topics/CalcUJ.md
    - topics/crystal.md
    - topics/DFT+U.md
    - topics/DeltaSCF.md
    - topics/DensityPotential.md
    - topics/Dev.md
    - topics/DFPT.md
    - topics/DMFT.md
    - topics/DynamicsMultibinit.md
    - topics/EffectiveMass.md
    - topics/EFG.md
    - topics/Elastic.md
    - topics/ElPhonInt.md
    - topics/ElPhonTransport.md
    - topics/ElecDOS.md
    - topics/ElecBandStructure.md
    - topics/ExtFPMD.md
    - topics/FileFormats.md
    - topics/FitProcess.md
    - topics/ForcesStresses.md
    - topics/FrequencyMeshMBPT.md
    - topics/GeoConstraints.md
    - topics/GeoOpt.md
    - topics/Git.md
    - topics/GSintroduction.md
    - topics/GW.md
    - topics/GWR.md
    - topics/GWls.md
    - topics/Hybrids.md
    - topics/Install.md
    - topics/k-points.md
    - topics/LatticeModel.md
    - topics/LatticeWannier.md
    - topics/LWFModel.md
    - topics/LDAminushalf.md
    - topics/LOTF.md
    - topics/longwave.md
    - topics/Macroave.md
    - topics/MagField.md
    - topics/MagMom.md
    - topics/MolecularDynamics.md
    - topics/multidtset.md
    - topics/NMR.md
    - topics/nonlinear.md
    - topics/Optic.md
    - topics/Output.md
    - topics/parallelism.md
    - topics/PAW.md
    - topics/PIMD.md
    - topics/Planewaves.md
    - topics/Phonons.md
    - topics/PhononBands.md
    - topics/PhononWidth.md
    - topics/PortabilityNonRegression.md
    - topics/positron.md
    - topics/printing.md
    - topics/PseudosPAW.md
    - topics/q-points.md
    - topics/RandStopPow.md
    - topics/Recursion.md
    - topics/RPACorrEn.md
    - topics/SCFControl.md
    - topics/SCFAlgorithms.md
    - topics/SelfEnergy.md
    - topics/SmartSymm.md
    - topics/spinpolarisation.md
    - topics/SpinDynamicsMultibinit.md
    - topics/STM.md
    - topics/Susceptibility.md
    - topics/TDDFT.md
    - topics/TDepES.md
    - topics/Temperature.md
    - topics/TransPath.md
    - topics/TuningSpeedMem.md
    - topics/Unfolding.md
    - topics/UnitCell.md
    - topics/vdw.md
    - topics/Verification.md
    - topics/Wannier.md
    - topics/Wavelets.md
    - topics/xc.md
    - External Resources: topics/external_resources.md
- Variables:
    - All Variables: variables/index.md
    - Abinit:
        - Basic: variables/basic.md
        - Bethe-Salpeter: variables/bse.md
        - Developers: variables/dev.md
        - DMFT: variables/dmft.md
        - Electron-Phonon: variables/eph.md
        - Varff: variables/ffield.md
        - File-handling: variables/files.md
        - Geometry: variables/geo.md
        - Ground-State: variables/gstate.md
        - GW: variables/gw.md
        - Internal: variables/internal.md
        - Parallelism: variables/paral.md
        - PAW: variables/paw.md
        - DFPT: variables/dfpt.md
        - Relaxation: variables/rlx.md
        - VdW: variables/vdw.md
        - Wannier90: variables/w90.md
    - Anaddb: variables/anaddb.md
    - aTDEP: variables/atdep.md
    - Multibinit: variables/multibinit.md
    - Optic: variables/optic.md
    - Aim: variables/aim.md
    - External Parameters: variables/external_parameters.md
    - Statistics: variables/varset_stats.md
- Tutorials:
    - Overview: tutorial/index.md
    - Basic tutorials:
        - basic1: tutorial/base1.md
        - basic2: tutorial/base2.md
        - basic3: tutorial/base3.md
        - basic4: tutorial/base4.md
    - ABINIT_build: tutorial/abinit_build.md
    - PAW1: tutorial/paw1.md
    - Spin: tutorial/spin.md
    - Polarization & finite field : tutorial/polarization.md
    - DFPT1: tutorial/rf1.md
    - DFPT2: tutorial/rf2.md
    - Parallelism: tutorial/basepar.md
    - ABINIT postprocessors:
        - aTDEP1: tutorial/atdep1.md
        #- aTDEP2: tutorial/atdep2.md
        - cut3D: tutorial/cut3d.md
        - fold2bloch: tutorial/fold2bloch.md
        - optic: tutorial/optic.md
        - wannier90: tutorial/wannier90.md
        - Z2pack: tutorial/z2pack.md
    - DFT beyond basics:
        - properties at the nucleus: tutorial/nuc.md
        - DFT+U : tutorial/dftu.md
        - cRPA U(J): tutorial/ucalc_crpa.md
        - Linear Response U(J): tutorial/lruj.md
        - PAW2: tutorial/paw2.md
        - PAW3: tutorial/paw3.md
        - positron : tutorial/positron.md
    - Many-Body Theory & excitations:
        - GW1: tutorial/gw1.md
        - GW2: tutorial/gw2.md
        - GWR_intro: tutorial/gwr_intro.md
        - GWR1: tutorial/gwr1.md
        - Bethe-Salpeter: tutorial/bse.md
        - DMFT: tutorial/dmft.md
        - TDDFT (Casida): tutorial/tddft.md
    - DFPT & electron-phonon:
        - elastic: tutorial/elastic.md
        - nonlinear : tutorial/nlo.md
        - lattice_wannier : tutorial/lattice_wannier.md
        - eph_intro : tutorial/eph_intro.md
        - eph for mobilities : tutorial/eph4mob.md
        - eph for zero-point renormalization : tutorial/eph4zpr.md
        #- tutorial/eph4isotc.md
        - eph_legacy : tutorial/eph_legacy.md
        - eph_tdep_legacy : tutorial/eph_tdep_legacy.md
    - Multibinit:
        - introduction to multibinit: tutorial/multibinit.md
        - lattice_model: tutorial/lattice_model.md
        #- Fit Process: tutorial/fit_process.md
        - spin_model: tutorial/spin_model.md
        - lwf_model: tutorial/lwf_model.md
    - Advanced parallelism:
        - paral_band_PW: tutorial/paral_bandpw.md
        - paral_wavelets: tutorial/paral_gswvl.md
        - paral_MD: tutorial/paral_moldyn.md
        - paral_images: tutorial/paral_images.md
        - paral_DFPT: tutorial/paral_dfpt.md
        - paral_MBPT: tutorial/paral_mbt.md
    #- tutorial/abitk.md
- FAQ:
    - Configuration and compilation: faq/configuration_and_compilation.md
    - General questions: faq/general_questions.md
    - Pre/Post processing: faq/pre_and_post_processing.md
    - Ground state: faq/ground_state.md
    - DFPT: faq/dfpt.md
    #- GW and BSE faq/gw_and_bse.md
    #- EPH: faq/eph.md
- Theory:
    - Geometry: theory/geometry.md
    - Spherical Harmonics: theory/spherical_harmonics.md
    - Wavefunctions: theory/wavefunctions.md
    - Noncollinear: theory/noncollinear.md
    - Pseudopotentials: theory/pseudopotentials.md
    - Many-Body Perturbation Theory: theory/mbt.md
    - Bethe-Salpeter: theory/bse.md
    - Documents: theory/documents.md
    - Acknowledgments: theory/acknowledgments.md
    - Bibliography: theory/bibliography.md
    - Acronyms: theory/acronyms.md
- Developers:
    - Git and Gitlab: developers/git_and_gitlab.md
    - HowTo for developers: developers/developers_howto.md
    - Abimkdocs: developers/abimkdocs.md
    - Markdown: developers/markdown.md
    - Test Suite:
        - Test list: developers/testsuite.md
        - Test Suite Howto: developers/testsuite_howto.md
        - YAML-based test suite Howto: developers/new_testsuite.md
        - YAML-based test suite Python tools and API: developers/yaml_tools_api.md
    - XgType: developers/XgType.md
    - Pseudos:
        - psp1: developers/psp1_info.md
        - psp3: developers/psp3_info.md
        - psp45: developers/psp45_info.md
        - psp5: developers/psp5spinorbit_info.md
        - psp6: developers/psp6_info.md
        - psp8: developers/psp8_info.md
    - Code stats: developers/codestats.md
    - Autoconf_examples: developers/autoconf_examples.md
    - Test Page for linkcheck: developers/testlink.md
    #- External Resources: developers/external_resources.md
- About:
    - Release Notes: about/release-notes.md
    - Contributing: about/contributing.md
    - History: about/history.md
    - License: about/license.md

# The section below activates markdown/theme extensions and other parameters related to
# the HTML/JS website. Play with it only if you know what you're doing!

markdown_extensions:
  - markdown.extensions.meta
  - markdown.extensions.toc:
        permalink: true  # For ¶
  - markdown.extensions.admonition
  - markdown.extensions.fenced_code
  - markdown.extensions.codehilite
  - markdown.extensions.smarty
  - markdown.extensions.tables
  - markdown.extensions.def_list
  - markdown.extensions.sane_lists
  - markdown.extensions.attr_list
  - pymdownx.arithmatex:
        #inline_syntax: ['dollar']
        #block_syntax:  ['dollar', 'begin']
  - pymdownx.betterem:
      smart_enable: all
  - pymdownx.caret
  #- pymdownx.critic
  - pymdownx.details
  - pymdownx.inlinehilite
  - pymdownx.mark
  - pymdownx.smartsymbols:
        registered: false
        copyright: false
        care_of: false
  - pymdownx.superfences
  - pymdownx.tilde
  # Abinit extensions (important!)
  - abimkdocs.wikilinks
  - abimkdocs.preprocessor
  - abimkdocs.mdx_figcaption
  #- abimkdocs.treepreprocessor

#strict: true

theme:
    name: material
    custom_dir: abinit_theme
    logo: images/logo-abinit-2015.png
    favicon: images/favicon.ico
    palette:
        primary: deep orange
        accent: deep orange
    features:
      - navigation.tabs
      #- navigation.tabs.sticky  # Nice but for insiders only
      #- toc.integrate
      - header.autohide

plugins:
    - abimkdocs
    - search:
          separator: '[\s\-\.]+'
          min_search_length: 2
          #prebuild_index: true  # Should test whether this makes search faster.

extra_css:
    - css/extra.css
    - css/gallery.css
    - css/my_codehilite.css

extra_javascript:
    - extra_javascript/abidocs.js

copyright: Copyright &copy; 2020-2024 The Abinit Group

google_analytics: ['UA-116681470-1', 'docs.abinit.org']

extra:
    version: ABINIT_VERSION
    previous_published_versions: [] #8.2.0
    social:
        - icon: fontawesome/brands/github
          link: https://github.com/abinit/abinit
        - icon: fontawesome/brands/youtube
          link: https://www.youtube.com/watch?v=gcbfb_Mteo4
        - icon: fontawesome/brands/facebook
          link: http://www.facebook.com/abinit.org
        - icon: fontawesome/brands/twitter
          link: https://twitter.com/hashtag/abinit
    # Dictionary with aliases mapping token --> value
    # |token| will be replaced by value by the Markdown preprocessor
    # NB: white spaces inside token are not allowed, `token` is ignored
    abimkdocs_aliases:
        # Special |macros|:
        today:  'Expands to datetime.date.today().strftime("%B %d, %Y")'
        # Links to doc pages (AbiPy scripts)
        AbiPy: "[AbiPy](https://github.com/abinit/abipy)"
        abistruct: "[abistruct.py](http://abinit.github.io/abipy/scripts/abistruct.html)"
        abiopen: "[abiopen.py](http://abinit.github.io/abipy/scripts/abiopen.html)"
        abicomp: "[abicomp.py](http://abinit.github.io/abipy/scripts/abicomp.html)"
        abiview: "[abiview.py](http://abinit.github.io/abipy/scripts/abiview.html)"
        abirun: "[abirun.py](http://abinit.github.io/abipy/scripts/abirun.html)"
        abidoc: "[abidoc.py](http://abinit.github.io/abipy/scripts/abidoc.html)"
        # Links to abitutorials jupyter notebooks served at
        # https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb?flush_cache=true
        AbipyStructureNb: "[AbiPy structure notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/structure.ipynb)"
        AbinitInputNb: "[AbinitInput notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/abinit_input.ipynb)"
        GsrFileNb: "[GsrFile notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/gsr.ipynb)"
        HistFileNb: "[HistFile notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/hist.ipynb)"
        FatbandsFileNb: "[Fatbands notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/efatbands.ipynb)"
        DdbFileNb: "[DdbFile notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/ddb.ipynb)"
        SigresFileNb: "[Sigres notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/sigres.ipynb)"
        MdfFileNb: "[MdfFile notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/mdf.ipynb)"
        AbiwanFileNb: "[AbiwanFile notebook](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/abiwan.ipynb)"
        # Links to abitutorials lessons
        G0W0LessonNb: "[notebook with the GW lesson](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/g0w0/lesson_g0w0.ipynb)"
        # Links to websites
        abiconfig: "[abiconfig](https://github.com/abinit/abiconfig)"
        abiflows: "[abiflows](https://github.com/abinit/abiflows)"
        abitutorials: "[abitutorials](https://github.com/abinit/abitutorials)"
        abiconda: "[abiconda](https://github.com/abinit/abiconda)"
        #abinit-channel: https://anaconda.org/abinit
        pseudodojo: "[pseudo-dojo](http://www.pseudo-dojo.org/)"
        pymatgen: "[pymatgen](http://www.pymatgen.org)"
        #fireworks: https://materialsproject.github.io/fireworks/
        materials_project: "[materials project](https://materialsproject.org/)"
        #conda: https://conda.io/docs/
        #Anaconda: https://continuum.io/downloads
        #spack: https://github.com/LLNL/spack
        #pip: https://pypi.python.org/pypi/pip
        ipython: "[ipython](https://ipython.org/index.html)"
        jupyter: "[jupyter](http://jupyter.org/)"
        Python: "[Python](http://www.python.org/)"
        #spglib: https://atztogo.github.io/spglib/
        #bader: http://theory.cm.utexas.edu/henkelman/code/bader/
        ase: "[ase](https://wiki.fysik.dtu.dk/ase/)"
        COD: "[COD](http://www.crystallography.net/cod/)"
        CIF: "[CIF](http://www.iucr.org/resources/cif)"
        vesta: "[vesta](http://jp-minerals.org/vesta/en/)"
        xcrysden: "[XCrysDen](http://www.xcrysden.org/)"
        xmgrace: "[xmgrace](http://plasma-gate.weizmann.ac.il/Grace/)"
        gnuplot: "[gnuplot](http://www.gnuplot.info/)"
        ovito: "[ovito](https://ovito.org/)"
        v_sim: "[v_sim](http://inac.cea.fr/L_Sim/V_Sim/)"
        avogadro: "[avogadro](https://avogadro.cc/)"
        phononwebsite: "[phononwebsite](http://henriquemiranda.github.io/phononwebsite/)"
        phonopy: "[phonopy](https://atztogo.github.io/phonopy/)"
        pyprocar: "[pyprocar](https://romerogroup.github.io/pyprocar/)"
        fermisurfer: "[fermisurfer](http://fermisurfer.osdn.jp/)"
        #netcdf: https://www.unidata.ucar.edu/software/netcdf/docs/faq.html#whatisit
        YAML: "[Yaml](https://en.wikipedia.org/wiki/YAML)"
        JSON: "[JSON](https://en.wikipedia.org/wiki/JSON)"
        #aTDEP: '<span style="font-variant:small-caps;">a</span>-TDEP'