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OpenBioSim
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biosimspace
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Add ring-breaking/making info during merge and add support for adding ions to an existing system
- #518
#518
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devel
OpenBioSim/biosimspace:devel
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feature_ring_break_softcore
OpenBioSim/biosimspace:feature_ring_break_softcore
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May 13, 2026
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Add ring-breaking/making info during merge and add support for adding ions to an existing system
#518
lohedges
merged 6 commits into
devel
OpenBioSim/biosimspace:devel
from
feature_ring_break_softcore
OpenBioSim/biosimspace:feature_ring_break_softcore
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Commits on Mar 5, 2026
Added functionality for adding ions to a system.
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Commits on Mar 9, 2026
Add ion_conc option to addIons and standardise with solvate.
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Clarify ion_conc parameter for addIons function.
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Commits on Mar 10, 2026
Allow user to specify counterion.
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Commits on May 8, 2026
Store ring-breaking and ring-making bond pairs as molecule properties.
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Commits on May 12, 2026
Merge branch 'feature_add_ions' into feature_ring_break_softcore
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