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
  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

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

Uh oh!

There was an error while loading. Please reload this page.

MALBECC / lio Public

Notifications You must be signed in to change notification settings
Fork 18
Star 29

Code
Issues 23
Pull requests
Actions
Projects
Wiki
Security and quality
Insights

Additional navigation options

Code
Issues
Pull requests
Actions
Projects
Wiki
Security and quality
Insights

Home

Jump to bottom

ramirezfranciscof edited this page Jul 14, 2015 · 34 revisions

Welcome to the lio wiki! Thank you for your interest in our code.

This wiki is currently under construction.

Wiki pages Pages 22

Home
Code Compilation
Code Guidelines
Code Overview
Code Overview: LibxcProxy
Code Structure
Development Workflow
External Libraries
General Overview
Git : Advanced Topics
Git : Basic Usage
Integration with Libxc
Libxc available functionals for CPU
Libxc available functionals for GPU version
Libxc with CUDA support installation guide
LIO installation
LIO plus MM software
Makefile Structure
Other Resources & References
Running Constrained DFT Calculations
Running LIO
Running single point calculations

Home

Users

Installing LIO
Installing LIO with MM
Running Single Points
Running CDFT

Developers

Code Compilation
Running LIO
External Libraries
Code Overview

Developer Guidelines

General Overview
Makefile Structure
Code Guidelines
Development Workflow
Git : Basic Usage
Git : Advanced Topics

Clone this wiki locally

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.