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=== Usefull programs ===
 
=== Usefull programs ===
 
[[http://www.scl.ameslab.gov/MacMolPlt |  MacMolPlt]] will be installed on the cluster. It shall be used to build graphically Gamess input.
 
[[http://www.scl.ameslab.gov/MacMolPlt |  MacMolPlt]] will be installed on the cluster. It shall be used to build graphically Gamess input.
 
[[xmpg]] can help to convert Gamess output to XMVB files (.bfi, .xmi, .bro) (and XMVB file to Gamess files for orbitals) [not updated to xmvb2]
 
  
 
=== Program of the tutorials (PROPOSAL) ===
 
=== Program of the tutorials (PROPOSAL) ===

Version du 26 juin 2012 à 12:07

Instructors

  • Benoît Braida
  • Xun Chen
  • David Danovich
  • Stéphane Humbel (coordinator)
  • Mathieu Linares
  • Yirong Mo
  • Avital Shurki
  • Jinshuai Song
  • Peifeng Su
  • Wei Wu
  • Fuming Ying

Usefull programs

[| MacMolPlt] will be installed on the cluster. It shall be used to build graphically Gamess input.

Program of the tutorials (PROPOSAL)

Here are Sason remarks

They are accessible from your tutorials

Tutorial n°1 : Basics of VB theory and XMVB program

Tutorial n°2 : VB applications on PI systems

Tutorial n°3 : State correlation diagrams and photochemistry

Tutorial n°4 : BLW method & HuLiS program

Advanced Tutorial (optional) : Advanced exercices on VB theory and XMVB program