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Re^3: Interpretation of CASSCF/XMCQDPT results

Gena
alchemicylide@gmail.com


On Fri Jan 13 '12 1:49am, sanya wrote
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  • The beta version of Firefly v. 8.0.0 can run XMCQDPT2 in parallel.

    >WOW!!!!!!!! Great! how can I activate this option?

    XMCQDPT runs in parallel like any other job now, I guess. In my case I didn't need to modify anything (well, I deleted MKLNP=... option to avoid regression due to multithreading)


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