[Mesmer-notify] [ mesmer-Bugs-2804147 ] Exchange reaction in Benzene system causes two errors

[SourceForge.net <no...@so...>]

Bugs item #2804147, was opened at 2009-06-10 13:31
Message generated for change (Tracker Item Submitted) made by alvynliang
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=894764&aid=2804147&group_id=180832

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Chi-Hsiu Liang (alvynliang)
Assigned to: Chi-Hsiu Liang (alvynliang)
Summary: Exchange reaction in Benzene system causes two errors

Initial Comment:
I have observed two bugs when I run P/T depBenzene oxidation system from Dave.  One of these is the ZPE and lowest barrier height calculation in ReactionManager.cpp for IrreversibleExchangeReaction. I will fix it asap.

The second error is in approximately Line 1204 of ReactionManager.cpp which is inside BartisWidomPhenomenologicalRates(). It seems for some reason the vector index is out of range.

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=894764&aid=2804147&group_id=180832