We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent e85242a commit b0afc7cCopy full SHA for b0afc7c
examples/rmg/catalysis/methane_steam/input.py
@@ -1,7 +1,7 @@
1
# Data sources
2
database(
3
thermoLibraries=['surfaceThermoNi111', 'surfaceThermoPt111', 'primaryThermoLibrary', 'thermo_DFT_CCSDTF12_BAC'],
4
- reactionLibraries = [('Surface/Deutschmann_Ni', True)], # when Pt is used change the library to Surface/CPOX_Pt/Deutschmann2006
+ reactionLibraries = [('Surface/Methane/Deutschmann_Ni', True)], # when Pt is used change the library to Surface/CPOX_Pt/Deutschmann2006
5
seedMechanisms = [],
6
kineticsDepositories = ['training'],
7
kineticsFamilies = ['surface','default'],
0 commit comments