espei.org Quarto site

Building the docs

1. Install quarto from quarto.org
2. pip install -r requirements.txt (installs ESPEI and quartodoc)
3. quartodoc build && quarto preview to generate reference/api docs and preview the site

TODO:

• Update png logos to the versions with transparency (for dark mode)
• Enable "tabbed" mode in the Cu-Mg tutorials for comparing command line vs. running interactively with Python code
• API docs automation:
  • Make API docs more automated in terms of discovery. Using __all__ and/or pointing to modules with things well documented should simplify.
  • Make API docs more automated in terms of integrating the outputs of quartodoc build into the site (see the notes in _quarto.yml)
• Content to add:
  • CLI reference document
  • Need to document equilibrium thermochemical data
  • 2022 workshop Cr-Ni example (with tabbed mode for command line vs. Python)
  • 2023 workshop Cu-Mg example (update Cu-Mg example with UQ steps)
  • Explanation: parameter selection, incorporate details from the 2024 paper
  • Explanation: likelihood functions: incorporate details from dissertation, 2022 Calphad presentation and Courtney's 2024 paper (specifically on ZPF residual)
  • Explanation: MCMC how it works and propagation, specifically the ensemble method used (if we incorporate HMC/NUTS/(insert gradient based MCMC) soon, then we should just wait until that's done)