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qmcchem/cipsi_gui

Current goal: Finish CIPSI, gto and sto, should read ouput and create an input

Todo-list short term

  • Fix tooltips
  • General way of opening and saving files
  • Menu bar : build, analyse,
  • Tabbed windows (CIPSI,QMCHCHEM,HF,ETC, closable?)
  • Read Testfiles,
  • Interface to EZFIO, CCLib
  • Generate table automatically
  • Clean up enviroment to make it more general, i.e. independent of user machine : sys.path += [ "/home/razoa/CIPSI/EZFIO/Python", "/home/razoa/resultsFile/resultsFile" ]

Todo-list long term

  • QMC=CHEM
  • Orbtial viewer
  • Build and analyze results
  • Hartree fock
  • Install script
  • Integrate into cipsi/qmcchehm install
  • Nicer Gui
  • Get a logo!
  • User tutorial
  • Website
  • sphynx documentation

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