Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Adds pH to charge balance options, and makes it default on blocks with exact speciation. #12

Open
wants to merge 5 commits into
base: main
Choose a base branch
from

Conversation

avdudchenko
Copy link
Contributor

@avdudchenko avdudchenko commented Oct 28, 2024

Currently, we do not do any charge neutralization on ReaktoroBlocks with exact speciation (including property blocks that are auto built when using build_specitation_block=True).

This update fixes this error, which will ideally improve some stability. In testing, this had negligible to no effect on overall calculations performed by reaktoro blocks (as noted by changes to any of the tests). This does now remove the need in general to use "open_species_on_property_block" option in many cases.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant