libantioch / antioch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library
https://libantioch.github.io/
Other
22 stars 17 forks source link

Reaction::set_maximum_rate() #217

Closed roystgnr closed 8 years ago

roystgnr commented 8 years ago

Returning infinity was more correct than NaN, but returning huge-but-finite rates might be more practically useful. Less correct, though, so we leave the maximum rate at infinity by default and fob off on the user the responsibility of setting a cap if they need.

Currently I'm only applying this to the reverse reaction rates, which go nuts at sanely low temperatures; if anyone wants to evaluate forward rates at insanely high temperatures then we'll need to add another max application there.

pbauman commented 8 years ago

👍