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OpenBioSim / sire Public

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Fix parsing of GLYCAM topology files#407

Merged

lohedges merged 20 commits intodevelOpenBioSim/sire:develfrom

fix_glycamOpenBioSim/sire:fix_glycamCopy head branch name to clipboard

Mar 16, 2026

Conversation Commits20 (20)Checks Files changed

Merged

Fix parsing of GLYCAM topology files#407
lohedges merged 20 commits intodevelfrom
fix_glycam

Commits

Commits on Mar 9, 2026

Fix GLYCAM force-field parsing issues.
lohedges
committed
Handle perturbable topologies.
lohedges
committed
Fix GLYCAM residue reindexing bug.
lohedges
committed
Mark GLYCAM tests as slow and refactor.
lohedges
committed

Commits on Mar 13, 2026

Add BioSimSpace helper function to merge intrascale properties.
lohedges
committed
Fix pasting error.
lohedges
committed
Fix GroMolType streaming operator.
lohedges
committed
Fix errors caused by 1-3 terms in merged molecule.
lohedges
committed

Commits on Mar 16, 2026

Fix order.
lohedges
committed
Fix comparison operator.
lohedges
committed
Add method to expose non-default elements of sparse matrix.
lohedges
committed
Add fast pre-compute of genuine 1-4 pairs.
lohedges
committed
Fix autoformatting changes.
lohedges
committed
Add clang-format configuration.
lohedges
committed
Autoformat. [ci skip]
lohedges
committed
Force UTF-8 encoding on Windows during tests.
lohedges
committed
Print energies to investigate Windows CI failure.
lohedges
committed
Fix missing test env section.
lohedges
committed
Capture stdout during testing.
lohedges
committed
Skip failing energy assertion on Windows. [ci skip]
lohedges
committed

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