B..3.1 AIC density fitting integral program

A faster integral program for density fitting, written by Gerald Knizia, has been added. In particular this speeds up the integral evaluation in F12 calculations by up to a factor of about 10 (depending on the basis set). This program is now used by default, but can be disabled by setting

dfit,aic=0

in the beginning of the input.



molpro@molpro.net 2018-11-13