Skip to content

Many undeclared duplicate reactions in chemkin file #49

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

Closed
rwest opened this issue Jul 27, 2011 · 2 comments
Closed

Many undeclared duplicate reactions in chemkin file #49

rwest opened this issue Jul 27, 2011 · 2 comments

Comments

@rwest
Copy link
Member

rwest commented Jul 27, 2011

After 2.5 hours, my methylformate job reported:

    The model core has 101 species and 4708 reactions
    The model edge has 11324 species and 17960 reactions

When I try to run it through chemkin it finds 1230 undeclared duplicates. The ones I've checked all seem to be in the reverse of the direction which they duplicate.

Interestingly there are only 210 chebyshev reactions (a small fraction of 4708), and these all printed as irreversible (with => arrows).

@rwest
Copy link
Member Author

rwest commented Jul 29, 2011

Most of these are fixed after all yesterday's work. Some still creep in, from depository reactions.

@rwest
Copy link
Member Author

rwest commented Aug 2, 2011

After several days work, and a reasonably large restructuring of the logic flow (thanks Josh!), I think this is now closed! I think the last nail in the coffin was 4fac866

@rwest rwest closed this as completed Aug 2, 2011
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

No branches or pull requests

1 participant