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Re^5: Problem with amount of memory (linux system)

Alex Granovsky
gran@classic.chem.msu.su


Hi,

>The pure 64-bit firefly version is important for MCSCF calculations of big molecules (50-70 atoms), where the time-limiting phase becomes disk r/w operations.

Firefly incorporates very efficient MCSCF module and has dedicated
integral transformation code for large molecules.
See http://classic.chem.msu.su/gran/gamess/mcscf.html for details.

Regards,
Alex Granovsky


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