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.

Sign up for GitHub

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

Jump to bottom

XML Parser not converting ModifiedArrhenius (Kooij) to Arrhenius in Falloff Reactions #253

Open
pbauman opened this issue Jun 26, 2018 · 0 comments
Open

XML Parser not converting ModifiedArrhenius (Kooij) to Arrhenius in Falloff Reactions #253

pbauman opened this issue Jun 26, 2018 · 0 comments

Comments

@pbauman
Copy link
Member

pbauman commented Jun 26, 2018

See, e.g. reaction 12, in GRI 3. b is zero, but KineticsModel is still being set as Kooij for each of the forward rates. This is minor, but it is inconsistent with us taking elementary or three-body reactions and doing to conversion internally (to save some cpu cycles).
pbauman added a commit to pbauman/antioch that referenced this issue Jun 26, 2018
@pbauman
Beef up GRI3 XML parsing kinetics testing
898c009 
Explicitly testing several components of parsing. Note that Issue libantioch#253
was uncovered as part of this.
@pbauman pbauman mentioned this issue Jun 26, 2018
Closed
pbauman added a commit to pbauman/antioch that referenced this issue Jun 26, 2018
@pbauman
Beef up GRI3 XML parsing kinetics testing
811c049 
Explicitly testing several components of parsing. Note that Issue libantioch#253
was uncovered as part of this.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@pbauman