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ReactionMechanismGenerator / RMG-Java

The Java version of RMG: Reaction Mechanism Generator
http://rmg.sourceforge.net/
MIT License
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Number of terms in Chebyshev polynomials passed to fame incorrectly? #76

Closed rwest closed 14 years ago

rwest commented 14 years ago

Perhaps I'm just interpreting this incorrectly, but my RMG input has:

PDepKineticsModel: Chebyshev
TRange: (K) 500 2100 7 4
PRange: (bar) 1 250 4 3

Requesting 4 terms for T and 3 terms for P.

However, the fame input file generated by RMG has:

Chebyshev 4 4

Requesting 4 terms for each of T and P

rwest commented 14 years ago

RTFM Richard! http://rmg.sourceforge.net/documentation/conditionfile.html#pressuredependence

Correct syntax for RMG input file is:

PDepKineticsModel: Chebyshev 4 3 
TRange: (K) 500 2100 7
PRange: (bar) 1 250 4