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==== [[VBTutorial1|Tutorial n°1]] : Basics of VB theory and XMVB program (W. Wu's Group + PC Hiberty ) ==== | ==== [[VBTutorial1|Tutorial n°1]] : Basics of VB theory and XMVB program (W. Wu's Group + PC Hiberty ) ==== | ||
| − | ==== [[VBTutorial2|Tutorial n°2]] : VB applications | + | ==== [[VBTutorial2|Tutorial n°2]] : VB applications on PI systems (A. Shurki + D. Danovitch) ==== |
==== [[VBTutorial3|Tutorial n°3]] : VB vs BDO (Lewis structures) BLW & HuLiS (S. Humbel + M. Linares + Y. Mo )==== | ==== [[VBTutorial3|Tutorial n°3]] : VB vs BDO (Lewis structures) BLW & HuLiS (S. Humbel + M. Linares + Y. Mo )==== | ||
Version du 25 mai 2012 à 03:55
Instructors
- Benoît Braida
- Zhenhua Chen
- Xun Chen
- David Danovich
- Stéphane Humbel (coordinator)
- Mathieu Linares
- Yirong Mo
- Avital Shurki
- Peifeng Su
- Wei Wu
- Fuming Ying
Usefull programs
[| MacMolPlt] will be installed on the cluster. It shall be used to build graphically Gamess input.
xmpo can help to convert .orb files to more handy .bro (back and forth)
xmpg can help to convert Gamess output to XMVB files (.bfi, .xmi, .bro) (and XMVB file to Gamess files for orbitals)
Program of the tutorials (PROPOSAL)
Here are Sason remarks
They are accessible from your tutorials