Skip to content

Navigation Menu

Appearance settings

View all features
- BY COMPANY SIZE
  Enterprises
  Small and medium teams
  Startups
  Nonprofits
- BY USE CASE
  App Modernization
  DevSecOps
  DevOps
  CI/CD
  View all use cases
- BY INDUSTRY
  Healthcare
  Financial services
  Manufacturing
  Government
  View all industries
View all solutions
- EXPLORE BY TOPIC
  AI
  Software Development
  DevOps
  Security
  View all topics
- EXPLORE BY TYPE
  Customer stories
  Events & webinars
  Ebooks & reports
  Business insights
  GitHub Skills
- SUPPORT & SERVICES
  Documentation
  Customer support
  Community forum
  Trust center
  Partners
View all resources
- COMMUNITY
  GitHub SponsorsFund open source developers
- PROGRAMS
  Security Lab
  Maintainer Community
  Accelerator
  GitHub Stars
  Archive Program
- REPOSITORIES
  Topics
  Trending
  Collections
- ENTERPRISE SOLUTIONS
  Enterprise platformAI-powered developer platform
- AVAILABLE ADD-ONS
  GitHub Advanced SecurityEnterprise-grade security features
  Copilot for BusinessEnterprise-grade AI features
  Premium SupportEnterprise-grade 24/7 support
Pricing

Search code, repositories, users, issues, pull requests...

Search

Clear

Search syntax tips

Provide feedback

We read every piece of feedback, and take your input very seriously.

Include my email address so I can be contacted

Saved searches

Use saved searches to filter your results more quickly

Name

Query

To see all available qualifiers, see our documentation.

Appearance settings

You signed in with another tab or window. Reload to refresh your session. You signed out in another tab or window. Reload to refresh your session. You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

ReactionMechanismGenerator / ARC Public

Notifications You must be signed in to change notification settings
Fork 24
Star 48

Code
Issues 82
Pull requests 39
Actions
Projects
Wiki
Security and quality
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Projects
Wiki
Security and quality
Insights

Fix ORCA CABS/F12 input generation and keyword duplication#872

Merged

alongd merged 3 commits intomainReactionMechanismGenerator/ARC:mainfrom

feat/orca-cabs-basisReactionMechanismGenerator/ARC:feat/orca-cabs-basisCopy head branch name to clipboard

Apr 23, 2026

Conversation Commits3 (3)Checks Files changed

Merged

Fix ORCA CABS/F12 input generation and keyword duplication#872
alongd merged 3 commits intomainfrom
feat/orca-cabs-basis

Commits

Commits on Apr 19, 2026

Add support for CABS in ORCA F12 calculations
calvinp0
committed
Refine DLPNO fallback logic for monoatomic species
calvinp0
committed
Refine DLPNO monoatomic logic and update CABS test coverage
calvinp0
committed

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.