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I have a very basic question. I know that GAMESS can be used to compute localized molecular orbitals, using for example Boys equation; how does one use the program to get the resulting coefficients used to mix the basis functions.

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Generally questions concerning computer programs (yes, even physics simulations) are off-topic here, though we have made some limited exceptions. Consider instead. – dmckee Jul 15 '13 at 17:55
Oooo.... that's a tough call. If that's how it is, then fine; but I feel this is so specialized that few will know it in this area, and probably no one on SciComp looks for these types of questions. It seems like biophysics and quantum chemistry should belong here.... but I'm not here to debate that topic. – Squirtle Jul 16 '13 at 2:34
Actually that page suggests that specialized physics software should be allowed. This is only related to physics, so.... – Squirtle Jul 16 '13 at 2:37
I haven't moved to migrate it because it might be isomorphic to the pythia questions (I don't know the program you are talking about, so I can't judge). – dmckee Jul 16 '13 at 2:37

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