Skip to content

Parsing fixes for ORCA xTB (Fixes #44) - #45

Merged
coltonbh merged 1 commit into
atomsforhumanity:masterfrom
TroyNSmith:master
Jun 10, 2026
Merged

Parsing fixes for ORCA xTB (Fixes #44)#45
coltonbh merged 1 commit into
atomsforhumanity:masterfrom
TroyNSmith:master

Conversation

@TroyNSmith

Copy link
Copy Markdown
Contributor

Updated parsers.ORCA.parse_natoms to be optional (for cases like xTB where regex patterns are not maintained).

Updated parsers.ORCA.parse_natoms to be optional (for cases like xTB
where regex patterns are not maintained).
@coltonbh

Copy link
Copy Markdown
Collaborator

@TroyNSmith - Will look at this today! Sorry to keep you guys waiting. GitHub didn't send me a notification for this :/ Be sure to @coltonbh when something is ready so I get notified :)

@coltonbh
coltonbh merged commit d0f9f1a into atomsforhumanity:master Jun 10, 2026
9 checks passed
@coltonbh

Copy link
Copy Markdown
Collaborator

@avcopan and @TroyNSmith released in qccodec v0.10.2. Please @coltonbh me when something is ready to go--sorry I left you hanging on this one! Didn't know it was ready for review and GH didn't notify me.

@avcopan

avcopan commented Jun 10, 2026

Copy link
Copy Markdown
Contributor

Sorry! I assumed GH would ping you either way. Thanks, @coltonbh !

@coltonbh

Copy link
Copy Markdown
Collaborator

Usually does! Didn't for some reason.

Also, I'm done with my dissertation defense! So it's time to get serious about these software stacks! I'll still be finishing the written portion of my dissertation this summer, but I want to provide same-day or at least 48-hour turnaround on any of your issues here, @avcopan and @TroyNSmith. This fall, I'll be full time and do a major overhaul. Let's go!! 🚀

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants