Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^4: Restart of MCQDPT calculations
sanya
sanya@photonics.ru
>unfortunately, you can only skip MCSCF part of calculations
>(mo)reading all vectors in $guess and setting
>$mcqdpt inorb=2 $endIt's really a pity :((( because I already used vectors from MCSCF, and all this long job that ended so ungracefully was pure XMCQDPT.
Mon Jul 19 '10 3:18am
This message read 741 times