1. I've installed openmpi:
yum install opnmpi
Showing posts with label quantum chemistry. Show all posts
Showing posts with label quantum chemistry. Show all posts
Wednesday, February 15, 2012
Thursday, November 19, 2009
Coupled clusters@GAMESS
Dear Santa!
I'm really sad because of absence of PCM interface in coupled-clusters. Also I'd like to have G3MP2 for open-shell structures and less memory-confusing coupled clusters code. Oh, forgotten: parallelisation of cc for open-shell systems))
Yours, Nikita Khlestov)
I'm really sad because of absence of PCM interface in coupled-clusters. Also I'd like to have G3MP2 for open-shell structures and less memory-confusing coupled clusters code. Oh, forgotten: parallelisation of cc for open-shell systems))
Yours, Nikita Khlestov)
Labels:
letter for Santa,
open shell systems,
PCM,
quantum chemistry
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