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Re: Error is some BENCH tests

Alex Granovsky
gran@classic.chem.msu.su

Hi Brian,

Indeed, with Firefly v. 8.0.0 CISTEP was changed from GUGA to ALDET.

This causes incompatibility with some of old sample input files
of previous Firefly distribution. The public Firefly v. 8.0.0
distribution will include updated sample input files.

Kind regards,
Alex Granovsky


On Wed Aug 1 '12 2:21am, Brian Duke wrote
-----------------------------------------
>BENCH02, BENCH05 and BENCH07 fail stating they need a $DET group. They actually need CISTEP=GUGA in the $MCSCF group as CISTEP=ALDET is the default. This is in the new firefly8 release but was there earlier.

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