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Saenger
 
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2005-08-27 09:50:55
last modified: 2005-08-27 09:53:54

Subtitel is too short
I was there this morning!
[/EDIT]

August 17, 2005
Dear All, we're working hard on getting the boinc-gamess windows up and adding more jobs. We should be ready for public computing in late October 2005. Please come back, we appreciate your participation.


More info here: [url=http://www.msg.ameslab.gov/GAMESS/GAMESS.html' target='_blank]http://www.msg.ameslab.gov/GAMESS/GAMESS.html[/url]

and here: [url=https://gridport.npaci.edu/GAMESS/' target='_blank]https://gridport.npaci.edu/GAMESS/[/url]

GAMESS is a program for ab initio quantum chemistry. GAMESS can compute wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF, with CI and MP2 energy corrections available for some of these. Analytic gradients are available for these SCF functions, for automatic geometry optimization, transition state searches, or reaction path following. Computation of the energy hessian permits prediction of vibrational frequencies. A variety of molecular properties, ranging from simple dipole moments to frequency dependent hyperpolarizabilities may be computed. Many basis sets are stored internally, and together with effective core potentials, all elements up to Radon may be included in molecules. Many of the computational functions can be performed using direct techniques, or in parallel on appropriate hardware.
Grüße vom Sänger
[BOINCstats] Willy
 
Forum moderator - Administrator - Developer - Tester - Translator
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2005-08-27 12:12:28
last modified: 2005-08-27 12:12:45

Had to many bradwurst mit bier yesterday???

Or we're both crazy...
Please do not PM, IM or email me for support (they will go unread/ignored). Use the forum for support.
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