Sevy Harris
Sevy Harris
> Thanks for this PR! I skimmed the changes and just wanted to add a few very minor comments. @kspieks thanks for your comments! I pushed the changes, so let...
> Same error saw here. [ReactionMechanismGenerator/RMG-website#241](https://github.com/ReactionMechanismGenerator/RMG-website/issues/241). But that issue seems to go away after the website was updated for unknown reason. > > I looked at the hashes of your...
I tried running the [2-BTP example file](examples/rmg/halogens/2-BTP/input.py) and it errored out after about 2 minutes. I'll see if I can figure out why, but here's the error message if you...
Okay, I've probably got the wrong version of the database. Is there a single database branch that has the changes from both 514 and 515? I was using halogen_kinetics for...
I got `False` when I ran it in my home directory, but then it's `True` when I run it in RMG-Py/arkane/ess There's a psi4.py file in RMG-Py/arkane/ess, so maybe it...
It looks like I jumped the gun on that fix. Changing the directory is not fixing the issue. I'll keep investigating. RMG-Py/arkane/ess is somehow getting added to the path. If...
@mefuller, I'm also working on a project where this functionality would be very useful to have. Let me know if you need a reviewer for your PR
v3.2.0 was successfully merged, so closing this
> I saw that Jackson linked this PR to the open issue that the current RMG version cannot reproduce the results from a previous version. I was wondering what the...
https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2563 adds surface mechanisms to the rmgpy.tools.regression tool. Once that one's merged, the minimal surface example can be added.