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DeltaAtomicAdsorptionEnergies are only set in RMG.loadDatabase

Status: Open.

#76 In cfgoldsmith/RMG-Py;

· rwest opened on Apr 26, 2019

Database of catalyst surfaces for input

Status: Open.

#74 In cfgoldsmith/RMG-Py;

· rwest opened on Apr 8, 2019

Surface reactor type doesn't do range reactors fully

Status: Open.

#73 In cfgoldsmith/RMG-Py;

· rwest opened on Apr 3, 2019

·  

Merge to master hackathon

Output labeled adjacency lists for each reaction

Status: Open.

#72 In cfgoldsmith/RMG-Py;

· rwest opened on Apr 1, 2019

DatabaseError: Unable to determine thermo parameters for <Molecule "C#CC=C[Ni]">: no data for node R* or any of its ancestors

Status: Open.

#70 In cfgoldsmith/RMG-Py;

· mazeau opened on Mar 23, 2019

·  

Merge to master hackathon

Stalls in the middle of model generation and will run forever

Status: Open.

#69 In cfgoldsmith/RMG-Py;

· mazeau opened on Mar 23, 2019

Test/check bidentate adsorption energy estimates

Status: Open.

#67 In cfgoldsmith/RMG-Py;

· rwest opened on Mar 18, 2019

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Bidentate

Naming conventions for adsorbates

Status: Open.

#65 In cfgoldsmith/RMG-Py;

· rwest opened on Mar 5, 2019

Pruning crashes with surface reactions

Status: Open.

#64 In cfgoldsmith/RMG-Py;

· kblondal opened on Mar 1, 2019

New Eley-Rideal families for RMG-database

Status: Open.

#63 In cfgoldsmith/RMG-Py;

· mazeau opened on Feb 21, 2019

Kinetics families should use training reactions not rules.

Status: Open.

#62 In cfgoldsmith/RMG-Py;

· rwest opened on Feb 21, 2019

·  

Merge to master hackathon

Use LSR to mix/match different adsorbate thermo libraries.

Status: Open.

#60 In cfgoldsmith/RMG-Py;

· rwest opened on Feb 13, 2019