Closed GoogleCodeExporter closed 9 years ago
Original comment by yarmond
on 25 Oct 2013 at 2:21
Fixed by r2586.
Original comment by yarmond
on 6 Dec 2013 at 11:20
Dear Ray,
The fix of r2586 works in general, but I found an exceptional case:
For a reaction written as "CH2*+H2=CH3+H", which is one of the reaction in
USC-Mech, ck2cti converts this reaction to CH2* + H2 = CH3+ + H. (This happens
when CH3+ also exists in the species entry.)
Original comment by bjlee....@gmail.com
on 16 Dec 2013 at 12:19
Do you have a link to the mechanism? The "USC-Mech" I normally think of
(http://ignis.usc.edu/Mechanisms/USC-Mech%20II/USC_Mech%20II.htm) doesn't
contain any of these species. I'd like the full mechanism to work with to make
sure ck2cti at least handling all the cases that appear in it.
Original comment by yarmond
on 16 Dec 2013 at 2:58
Please find attached sample input and parsed cti's from old/new ck2cti. I hope
this example makes the case apparent. The difference is shown in Reaction 2.
Thanks
Original comment by bjlee....@gmail.com
on 18 Dec 2013 at 1:03
Attachments:
Yes, I understand the circumstances under which this error will occur. What I
would like is to see the full reaction mechanism so I can test whatever
solution I come up with, rather than playing whack-a-mole to fix each
individual case.
Original comment by yarmond
on 18 Dec 2013 at 7:08
Please confirm that this issue is fixed by r2701.
Original comment by yarmond
on 24 Jan 2014 at 8:49
Original comment by yarmond
on 5 Feb 2014 at 6:06
Original issue reported on code.google.com by
bjlee....@gmail.com
on 24 Oct 2013 at 10:04Attachments: