Richard West

Hmmm. Choice (1) is essentailly estimating the rates of the other reactions to be zero. Is this a better or worse estimate than the poor estimate given by choice (2)?...

I lean towards including it, but fear that shipping a 4.0 release that produces crazy rates will not help RMG's credibility. Maybe Bill can make up a top level number...

Thanks @ssommari. @nickvandewiele is this something we're aware of or is it news? Either way we ought to at least document it (until we fix it).

Hi @avasilio - what format do you have the data in?

See also issues #207 and #216 (although they're not much more informative than this one - they just reveal that it's been a problem for a while). It's strange that...

getDirection is just: ``` java public int getDirection() { return getStructure().getDirection(); //

When does this occur?

I think it's due to ba70d26161265d28f02837d01083b6028dc357f0 When the "restart" code was originally written, all PLOG rates had the same number of pressures, because they had all been created by FAME...

The real issue here is that pressure dependent reaction rates from kinetics libraries do not work in ReactionLibrary or KineticsLibrary. (I think it never has worked - it just didn't...

When reading a reaction library which contains PDep reactions we should do something sensible such as: a) warn the user and discard the reactions b) warn the user and just...