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Hi Jan,

You state on page 12 that MOPAC was faster than GAMESS to converge (despite taking more steps) - was this due to the use of the MOZYME localized molecular orbital (LMO) method?

If not, what effect on the speed and accuracy of MOPAC in your comparison do you think it might have had?

You also state on page 14 the modest increase in speed seen when running the programs across par...

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Computational chemistry
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