kirkbadger18

Updating RMG-Py

4

Updating RMG-Py When updating RMG-Py, should we also be recompiling the code with the "make" command, and also should we be updating the rmg conda environment from the updated .yaml...

Creation of surface species with charge separation more than one atom apart.

8

Hello, I have been starting to work with nitrogenous surface species and have been seeing something odd and unintentional happening. It seems that RMG is applying reaction templates that do...

Updates to draw.py are causing a crash for charge separated bidentates

3

When I try to run RMG in cases where charge separated bidentates show up, the recent updates to draw.py cause the following error:  I have isolated the issue by...

updated XOH NASA7 polynomials

2

Matt found a lower energy structure for XOH on Pt(111). The previous structure was in the hallow site, and this new structure was a bent structure over the atop site....