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Docs: v2 updates, nested solvers, and condensate data ranges - #164
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Issues are for bug reports and feature requests; questions, ideas and sharing how Atmodeller is used go to Discussions. Updated in CONTRIBUTING.md, the README, the development guide and the documentation front page. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
- solver: new section on the nested volume solves of P(V, T) equations of state - troubleshooting: how to find unsuccessful models, reuse a previous solution, and set max_starts and the tau sweep; data outside their range are extrapolated, not undefined; debug with debug_logger() and jax_debug_nans instead of editing __init__; links to Discussions - common tasks: correct the root-finding example module, explain bounded EOS with CombinedRealGas.create, and how EOS and solubility laws are registered and named - output: label for the solver section Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Comments, docstrings, a log message, the docs, the README, the PyPI description and the pull request template now use British spelling (modelling, behaviour, optimised, vectorisation, ...). Identifiers keep their American spelling, as does the PyPI keyword numerical-modeling. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
- installation: pip installs version 2; requires Python 3.11 or later, tested on Linux and macOS (Windows untested); uv installs the versions in uv.lock (uv sync --locked reproduces CI); drop Poetry; update the troubleshooting checklist for the lock file; fix heading levels, links and formatting - developer guide: run the commands with uv run - front page: remove the funding paragraph duplicated from About Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…page log10dIW_1_bar and log10dIW_P are always present and NaN without gaseous O2, and the constraints list every element and species, with NaN where there is no constraint. Checked against the keys of a solved model in all three output formats. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…ir data Describes the default of #163 and how to extrapolate the data of a condensate instead, in the troubleshooting page, in adding thermodynamic data, and in the comments of the atmosphere example. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
When the condensed data were split into solid and liquid states, the example's O2Si_cd and Si_cd became O2Si_s and Si_s, which dropped the liquid field. The 3000 K surface is above the melting points of silica (1996 K) and silicon (1690 K), so both phases are now included, and each is only stable within the temperature range of its data (#163). Liquid silica and silicon are now stable at the surface, and the solids at the cooler levels. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Summary
Documentation updates for v2, plus one example fix that follows from #163.
troubleshooting.rstandcommon_tasks.rst("Add thermodynamic data") now say that gas data are extrapolated outside their temperature range, whereas condensates are not stable there by default. They also explain how to opt back in withextrapolate_below/extrapolate_above.O2Si_cdandSi_cdbecameO2Si_sandSi_s, which dropped the liquid field. Its 3000 K surface is above the melting points of silica (1996 K) and silicon (1690 K).Testing
sphinx-apidoc, thensphinx-build -W --keep-going) with no warnings. This includes executing all the example notebooks.🤖 Generated with Claude Code