[molpro-user] GDIRECT: memory usage and speed

Lorenzo Lodi l.lodi at ucl.ac.uk
Tue Mar 11 13:30:35 GMT 2014


I would like to know if the speed of integral-direct calculations using
GDIRECT (RHF and CASSCF in particular) are affected by the amount of RAM
Molpro is allowed to use, eg due to caching of some frequently-used
integrals.

Lorenzo



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