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CBDD / pyMDmix Public

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initial solvent plugin implementation#10

Merged

ggutierrez-sunbright merged 11 commits intomdmix3-devCBDD/pyMDmix:mdmix3-devfrom

mdmix3-dev-solvent-pluginCBDD/pyMDmix:mdmix3-dev-solvent-pluginCopy head branch name to clipboard

Jul 7, 2025

Conversation Commits11 (11)Checks Files changed

Merged

initial solvent plugin implementation#10
ggutierrez-sunbright merged 11 commits intomdmix3-devfrom
mdmix3-dev-solvent-plugin

Commits

Commits on Jun 30, 2025

initial solvent plugin implementation
ggutierrez-sunbright
committed
fix linting
ggutierrez-sunbright
committed
fix mypy
ggutierrez-sunbright
committed
fix linting
ggutierrez-sunbright
committed
update requirements
ggutierrez-sunbright
committed
update fixtures
ggutierrez-sunbright
committed

Commits on Jul 2, 2025

add off file parser
ggutierrez-sunbright
committed
get solvent data from off files
ggutierrez-sunbright
committed

Commits on Jul 7, 2025

add some tests
ggutierrez-sunbright
committed
change __eq__ into eq for Atom
ggutierrez-sunbright
committed
remove comments
ggutierrez-sunbright
committed

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