Skip to content

GitLab

  • Projects
  • Groups
  • Snippets
  • Help
    • Loading...
  • Help
    • Help
    • Support
    • Community forum
    • Submit feedback
    • Contribute to GitLab
  • Sign in
chronusq_public
chronusq_public
  • Project overview
    • Project overview
    • Details
    • Activity
    • Releases
  • Repository
    • Repository
    • Files
    • Commits
    • Branches
    • Tags
    • Contributors
    • Graph
    • Compare
  • Issues 0
    • Issues 0
    • List
    • Boards
    • Labels
    • Service Desk
    • Milestones
  • Merge Requests 0
    • Merge Requests 0
  • CI / CD
    • CI / CD
    • Pipelines
    • Jobs
    • Schedules
  • Operations
    • Operations
    • Incidents
    • Environments
  • Analytics
    • Analytics
    • CI / CD
    • Repository
    • Value Stream
  • Wiki
    • Wiki
  • Snippets
    • Snippets
  • Members
    • Members
  • Collapse sidebar
  • Activity
  • Graph
  • Create a new issue
  • Jobs
  • Commits
  • Issue Boards
  • ChronusQ
  • chronusq_publicchronusq_public
  • Wiki

Clone repository chronusq/chronusq_public.wiki
HTTPS
  • SSH
  • HTTPS

Install Gollum

gem install gollum

Clone your wiki

git clone https://urania.chem.washington.edu/chronusq/chronusq_public.wiki.git
cd chronusq_public.wiki

Start Gollum and edit locally

gollum
== Sinatra/1.3.5 has taken the stage on 4567 for development with backup from Thin
>> Thin web server (v1.5.0 codename Knife)
>> Maximum connections set to 1024
>> Listening on 0.0.0.0:4567, CTRL+C to stop
Clone repository

Overview and Features

Getting ChronusQ

Running ChronusQ

Input sections

     Overview
     QM
     Molecule
     Basis and DFBasis
     Ints
     DFTInts
     SCF
     RT
     Response
     CC
     Misc

FAQ

Examples

     HF energy
     Relativistic DFT Energy
     Linear Response TDDFT
     Frequency dependent TDHF
     Model Order Reduction of TDDFT
     Electron dynamics

Keyword Reference

Binary Reference