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
Accelerator
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
Type
/
to 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 }}
roncv
/
PyCEC
Public
Notifications
You must be signed in to change notification settings
Fork
1
Star
0
Code
Issues
0
Pull requests
0
Actions
Projects
Security and quality
0
Insights
Additional navigation options
Code
Issues
Pull requests
Actions
Projects
Security and quality
Insights
master
Branches
Tags
Go to file
Code
Open more actions menu
Folders and files
Name
Name
Last commit message
Last commit date
Latest commit
History
27 Commits
27 Commits
.github/
workflows
.github/
workflows
PyCEC
PyCEC
docs
docs
simulations/
pept_AF_H87P_D342P
simulations/
pept_AF_H87P_D342P
tests
tests
.gitignore
.gitignore
LICENSE
LICENSE
README.md
README.md
setup.py
setup.py
View all files
Repository files navigation
README
License
More
items
PyCEC
A Python implementation of the Center of Excess Charge (CEC) collective variable.
About
PyCEC
Resources
Readme
License
Activity
Stars
0
stars
Watchers
1
watching
Forks
1
fork
Report repository
Releases
Packages
Used by
Contributors
Languages
You can’t perform that action at this time.