Solution: fix pH charge balancing bug and possible water ion imbalance #154
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[1.1.3] - 2024-07-28
Fixed
Solution
: Fix a bug in which settingbalance_charge
topH
could result innegative concentration errors when charge balancing or after
equilibrate
wascalled.
Solution
now correctly enforces the ion product of water (Kw=1e-14)whenever adjusting the amounts of H+ or OH- for charge balancing.
Added
Solution._adjust_charge_balance
: Added a privat helper method to consolidate chargebalancing code used in
__init__
andequilibrate
.