PC GAMESS/Firefly-related discussion club
Learn how to ask questions correctly
Numerical compatibilities versions 6 and 7
Alexey Nikitin
agilemolecule@gmail.com
My energy calculations with MP2 differs in the sixth digit in the PC GAMESS versions 6 and 7.
I understand that different algorithms here but may it be possible to get if not exactly the same energy that gave the old algorithm, but at least reduce the difference to 8-9 digit?
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Thu Oct 1 '09 8:07pm
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 1210 times