Skip to content
Navigation Menu
Sign in
Appearance settings
Platform
AI CODE CREATION
GitHub Copilot
Write better code with AI
GitHub Copilot app
Direct agents from issue to merge
MCP Registry
Integrate external tools
DEVELOPER WORKFLOWS
Actions
Automate any workflow
Codespaces
Instant dev environments
Issues
Plan and track work
Code Review
Manage code changes
Code Quality
Enforce quality at merge
APPLICATION SECURITY
GitHub Advanced Security
Find and fix vulnerabilities
Code security
Secure your code as you build
Secret protection
Stop leaks before they start
EXPLORE
Why GitHub
Documentation
Blog
Changelog
Marketplace
View all features
Solutions
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
Resources
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
Open Source
COMMUNITY
GitHub Sponsors
Fund open source developers
PROGRAMS
Security Lab
Maintainer Community
GitHub Stars
Archive Program
REPOSITORIES
Topics
Trending
Collections
Enterprise
ENTERPRISE SOLUTIONS
Enterprise platform
AI-powered developer platform
AVAILABLE ADD-ONS
GitHub Advanced Security
Enterprise-grade security features
Copilot for Business
Enterprise-grade AI features
Premium Support
Enterprise-grade 24/7 support
Pricing
Search
/
Sign in
Sign up
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
{{ message }}
Uh oh!
There was an error while loading.
Please reload this page
.
ReactionMechanismGenerator
/
T3
Public
Notifications
You must be signed in to change notification settings
Fork
7
Star
14
Code
Issues
29
Pull requests
9
Actions
Projects
Wiki
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Actions
Projects
Wiki
Security and quality
Insights
Allow specifying species concentration range
- #48
#48
Open
alongd
wants to merge 10 commits into
master
ReactionMechanismGenerator/T3:master
from
c_range
ReactionMechanismGenerator/T3:c_range
Copy head branch name to clipboard
Conversation
Commits
10
(10)
Checks
Files changed
Open
Allow specifying species concentration range
#48
alongd
wants to merge 10 commits into
master
ReactionMechanismGenerator/T3:master
from
c_range
ReactionMechanismGenerator/T3:c_range
Copy head branch name to clipboard
Commits
Commits on Feb 20, 2021
Minor: Reverse order in species QM label, use index first
alongd
committed
478bc4b
View commit details
Copy full SHA for 478bc4b
Browse repository at this point
Tests: Adaptations to main test
alongd
committed
c2d9d53
View commit details
Copy full SHA for c2d9d53
Browse repository at this point
Allow species concentration range in schema
alongd
committed
e09cf06
View commit details
Copy full SHA for e09cf06
Browse repository at this point
Tests: Species concentration range in schema
alongd
committed
e051d02
View commit details
Copy full SHA for e051d02
Browse repository at this point
Write species concentration range in the RMG input file
alongd
committed
31f4588
View commit details
Copy full SHA for 31f4588
Browse repository at this point
Tests: Write concentration range in the RMG input file
alongd
committed
4879c27
View commit details
Copy full SHA for 4879c27
Browse repository at this point
Docs: Added species concentration range to the docs
alongd
committed
a0e953b
View commit details
Copy full SHA for a0e953b
Browse repository at this point
Added species concentration range to the commented input file
alongd
committed
6b01684
View commit details
Copy full SHA for 6b01684
Browse repository at this point
BugFix: Do calc thermo for a species if it exists in self.species
Show description for 0514aab
alongd
committed
0514aab
View commit details
Copy full SHA for 0514aab
Browse repository at this point
Specify the iteration number in reason even for "All core species"
Show description for 2c7bbb0
alongd
committed
2c7bbb0
View commit details
Copy full SHA for 2c7bbb0
Browse repository at this point
You can’t perform that action at this time.