https://github.com/beangoben/toulouse_secretgui

very secret
https://github.com/beangoben/toulouse_secretgui

Last synced: about 1 month ago
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very secret

• Host: GitHub
• URL: https://github.com/beangoben/toulouse_secretgui
• Owner: beangoben
• License: gpl-3.0
• Created: 2014-03-10T09:38:01.000Z (over 10 years ago)
• Default Branch: master
• Last Pushed: 2014-03-22T01:24:44.000Z (over 10 years ago)
• Last Synced: 2023-06-03T19:50:17.522Z (over 1 year ago)
• Language: Python
• Size: 215 KB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
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