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Add ring-breaking/making info during merge and add support for adding ions to an existing system - #518

Merged

lohedges merged 6 commits into

develfrom

feature_ring_break_softcore

May 13, 2026

Merged

Add ring-breaking/making info during merge and add support for adding ions to an existing system#518
lohedges merged 6 commits into
develfrom
feature_ring_break_softcore

Commits on Mar 5, 2026
- Added functionality for adding ions to a system.
  lohedges
  committed
  a8f2515
Commits on Mar 9, 2026
- Add ion_conc option to addIons and standardise with solvate.
  lohedges
  committed
  9e22a86
- Clarify ion_conc parameter for addIons function.
  lohedges
  committed
  1e67e0b
Commits on Mar 10, 2026
- Allow user to specify counterion.
  lohedges
  committed
  3385d7f
Commits on May 8, 2026
- Store ring-breaking and ring-making bond pairs as molecule properties.
  lohedges
  committed
  9410577
Commits on May 12, 2026
- Merge branch 'feature_add_ions' into feature_ring_break_softcore
  lohedges
  committed
  f97ae7a