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
  • Home

Home · History

Page version Author Changes Last updated
75847000 Andrew Wildman Update Home Dec 08, 2020
f3551235 Andrew Wildman Update Home Dec 08, 2020
79aa4fa5 Andrew Wildman Change compilation to getting-cq Dec 08, 2020
4581d50b Andrew Wildman Remove links to testing wiki (Home) Dec 08, 2020
250230ad Andrew Wildman Remove links to testing wiki (Home) Dec 08, 2020
53b8338e Hang Hu Update Home information with docker images Dec 08, 2020
2707e7ca Andrew Wildman Update Home Oct 23, 2020
06327f62 Andrew Wildman Update Home Oct 22, 2020
24158d11 Torin Stetina Update Home Oct 14, 2020
3a343bf5 Andrew Wildman Replace old wiki with new one Oct 13, 2020
d60848fd Andrew Wildman Update Home Mar 12, 2020
d82ae91a Torin Stetina Updated Home (markdown) Oct 15, 2018
f8c0932b Torin Stetina Updated Home (markdown) Oct 15, 2018
c3a4da54 David Williams-Young Updated Home (markdown) Sep 04, 2017
c9db3214 David Williams-Young Spell Check Sep 02, 2017
edb3376c David Williams-Young Initial Home page Sep 02, 2017
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