Différences entre les versions de « VB workshop tutorials program »
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==== [[VBTutorial2|Tutorial n°2]] : VB applications on PI systems (A. Shurki + D. Danovitch) ==== | ==== [[VBTutorial2|Tutorial n°2]] : VB applications on PI systems (A. Shurki + D. Danovitch) ==== | ||
| − | ==== [[VBTutorial3|Tutorial n°3]] : State correlation diagrams ( W. Wu's + S. Shaik Group) ==== | + | ==== [[VBTutorial3|Tutorial n°3]] : State correlation diagrams and photochemistry ( W. Wu's + S. Shaik Group) ==== |
==== [[VBTutorial4|Tutorial n°4]] : BLW method & HuLiS program (S. Humbel + M. Linares + Y. Mo ) ==== | ==== [[VBTutorial4|Tutorial n°4]] : BLW method & HuLiS program (S. Humbel + M. Linares + Y. Mo ) ==== | ||
==== [[VBTutorialE|Advanced Tutorial (optional)]] : Advanced exercices on VB theory and XMVB program (B. Braida + S. Humbel + W. Wu's Group) ==== | ==== [[VBTutorialE|Advanced Tutorial (optional)]] : Advanced exercices on VB theory and XMVB program (B. Braida + S. Humbel + W. Wu's Group) ==== | ||
Version du 27 mai 2012 à 05:05
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.
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