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mkdocs.yml
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site_name: "Documentation: nomad-simulations"
site_description: |
Documentation for the schema of Simulation data.
site_author: FAIRmat consortium
repo_url: https://github.com/fairmat-nfdi/nomad-simulations
nav:
- Home: index.md
- Tutorial:
- Overview: tutorials/overview.md
- Stand-alone Usage: tutorials/standalone_schema_tutorial.md
- Schema Navigation:
- Overview: schema/index.md
- Simulation Entry: schema/simulation.md
- Model System:
- Overview: schema/model_system.md
- Alternative Representations: schema/representations.md
- Chemical Formula: schema/chemical_formula.md
- Particle States: schema/particle_states.md
- Symmetry: schema/symmetry.md
- Model Method:
- Overview: schema/model_method.md
- Force Field: schema/force_field.md
- Model Method Electronic: schema/model_method_electronic.md
- Numerical Settings: schema/numerical_settings.md
- Outputs:
- Overview: schema/outputs.md
- Electronic Structure Properties: schema/electronic_properties.md
- Many-Body Properties: schema/manybody_properties.md
- Physical Property Backbone: schema/physical_property.md
- Spectroscopic Properties: schema/spectroscopy.md
- Thermodynamic Properties: schema/thermodynamics.md
- Workflow:
- Overview: schema/workflow.md
- Beyond-DFT Workflow Family: schema/workflow_beyond_dft.md
- Beyond-HF Workflow Family: schema/workflow_beyond_hf.md
- Elastic Workflow: schema/workflow_elastic.md
- Equation of State Workflow: schema/workflow_equation_of_state.md
- Geometry Optimization Workflow: schema/workflow_geometry_optimization.md
- Molecular Dynamics Workflow: schema/workflow_molecular_dynamics.md
- Phonon Workflow: schema/workflow_phonon.md
- Photon Polarization Workflow: schema/workflow_photon_polarization.md
- Single-Point Workflow: schema/workflow_single_point.md
- Thermodynamics Workflow: schema/workflow_thermodynamics.md
- Workflow Convergence: schema/workflow_convergence.md
- Workflow Trajectory Properties: schema/workflow_trajectory.md
- Schema Explanation:
- Overview: explanation/overview.md
- Simulation Entry: explanation/simulation_entry.md
- Model System:
- Overview: explanation/model_system/overview.md
- Representation Architecture: explanation/model_system/representation.md
- Electronic States: explanation/model_system/electronic_states.md
- Model Method:
- Overview: explanation/model_method/overview.md
- Basis Sets: explanation/model_method/basis_sets.md
- Workflow:
- Overview: explanation/workflow/overview.md
- Convergence: explanation/workflow/convergence.md
# - Outputs:
# - Overview: explanation/outputs/overview.md
- Schema Development:
- Overview: schema_development/overview.md
- Contribution Guides:
- Overview: contributor_guides/overview.md
- Schema Development Guide: contributor_guides/schema_development_guide.md
- Documentation Writing Guide: contributor_guides/documentation_writing_guide.md
- Documentation Automation Guide: contributor_guides/documentation_automation_guide.md
- Populating Simulation and Program: schema_development/simulation_entry_population.md
- ModelMethod vs NumericalSettings: schema_development/model_method_vs_numerical_settings.md
- Bounded Data Types: schema_development/data_types.md
- Normalization: schema_development/normalize.md
- Model System Usage Guidelines: schema_development/model_system_usage_guidelines.md
- Contact: contact.md
theme:
name: material
font:
text: 'Titillium Web'
logo: assets/nomad-logo.png
favicon: assets/favicon.png
features:
- navigation.instant
- navigation.footer
icon:
repo: fontawesome/brands/github
palette:
# Default to light mode
- scheme: default
# primary: '#2A4CDF'
# accent: '#008A67'
toggle:
icon: material/weather-night
name: Switch to dark mode
# Dark mode option
- scheme: slate
toggle:
icon: material/weather-sunny
name: Switch to light mode
plugins:
- search
- panzoom:
key: alt
always_show_hint: true
hint_location: top
- awesome-pages
# - bibtex:
# bib_file: docs/assets/refs.bib
markdown_extensions:
markdown_extensions:
- attr_list
- md_in_html
- admonition
- footnotes
- pymdownx.details
- pymdownx.highlight:
anchor_linenums: true
- pymdownx.inlinehilite
- pymdownx.snippets:
check_paths: true
base_path:
- docs
- pymdownx.superfences :
custom_fences:
- name: mermaid
class: mermaid
format: !!python/name:pymdownx.superfences.fence_code_format
- pymdownx.tabbed: # ← REQUIRED for === "YAML"
alternate_style: true
- toc:
permalink: True
toc_depth: 3
- pymdownx.arithmatex:
generic: true
extra_css:
- stylesheets/extra.css
# - stylesheets/mermaid-zoom.css # Disabled: using panzoom plugin
# - stylesheets/svg-diagram.css # Disabled: using panzoom plugin
extra_javascript:
- 'https://cdnjs.cloudflare.com/ajax/libs/js-yaml/4.1.0/js-yaml.min.js'
- 'https://unpkg.com/cytoscape@3.19.1/dist/cytoscape.min.js'
- 'https://cdn.jsdelivr.net/npm/svg-pan-zoom@3.6.1/dist/svg-pan-zoom.min.js'
- assets/mermaid-dark-mode.js
- assets/mermaid-uml-markers.js
# - assets/click-zoom.js # Disabled: using panzoom plugin
# - assets/svg-pan-zoom-diagram.js # Disabled: using panzoom plugin
# - assets/code/parse.js
extra:
version: 0.1
generator: false