Différences entre les versions de « VB workshop tutorials program »

Dernière version du 13 juillet 2012 à 15:50

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-=== Instructors ===
+#REDIRECT[[VB_tutorial]]
-* 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 ===
-[[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) ===
-Here are
-[[Sason remarks]]
-They are accessible from your tutorials
-==== [[VBTutorial1|Tutorial n°1]] : Basics of VB theory and XMVB program ====
-==== [[VBTutorial2|Tutorial n°2]] : VB applications on PI systems ====
-==== [[VBTutorial3|Tutorial n°3]] : State correlation diagrams and photochemistry ====
-==== [[VBTutorial4|Tutorial n°4]] : BLW method & HuLiS program ====
-==== [[VBTutorialE|Advanced Tutorial (optional)]] : Advanced exercices on VB theory and XMVB program ====