From: Karol L. <kar...@kn...> - 2007-02-22 12:06:11
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Just wanted to let you know, that to further enlarge the repertoire of correlated energies in cclib, I started working on Coupled Cluster runs. I will first deal with GAMESS and Gaussian, but in the long run I would appreciate if someone could also upload CC test files for Jaguar and GAMESS-UK, which I don't have access to. Cheers, Karol -- written by Karol Langner Thu Feb 22 13:01:40 CET 2007 |