Volume scans going to very high densities#421

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JPDarby wants to merge 13 commits intoddmms:mainfrom

JPDarby:compression_simple_plotting

Commits on Mar 8, 2026

initial file structure
James Darby
committed
added in ability to generate random structures, uses pyxtal package
James Darby
committed
tweaking settings to get sensible random structures
James Darby
committed
pre-plotting
James Darby
committed
Claude fiddling with the plots
James Darby
committed

Commits on Mar 9, 2026

manual tweaks to chemicals formula grouping
James Darby
committed

Commits on Mar 10, 2026

added in the metrics
James Darby
committed
added in extra yticks in the linear region
James Darby
committed
moved plotting to analysis and upgraded to symlog scaling
James Darby
committed
Merge branch 'ddmms:main' into compression_simple_plotting
JPDarby
authored
ruff formating
James Darby
committed
user guide and undoing default setting changes elsewhere
James Darby
committed
removed old readme
James Darby
committed