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marrink-lab / vermouth-martinize Public

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Add non-forcefield-specific citations to the root of the data directory#655

Merged

pckroon merged 10 commits intomastermarrink-lab/vermouth-martinize:masterfrom common_citationsmarrink-lab/vermouth-martinize:common_citationsCopy head branch name to clipboard

Feb 7, 2025

+196-134

Conversation Commits10 (10)Checks Files changed

Commits

Commits on Jan 31, 2025

Add non-forcefield-specific citations to the root of the data directory
pckroon
committed
Change vermouth citation for formatting
pckroon
committed
Give force fields a __str__ and simple __eq__
pckroon
committed
Add a dummy ff
pckroon
committed
Systems with a given FF get the dummy FF. add_molecule extended to check FFs of incoming molecules
pckroon
committed
Cleanup tests
pckroon
committed

Commits on Feb 4, 2025

Unentwine the citation parser from force fields a bit
pckroon
committed
Move common citations out of force fields and create a new data submodule
pckroon
committed
Move quotes to the data module
pckroon
committed
Add some rudimentary tests for systems
pckroon
committed

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