Ceilidh ... Re^4: Where KDIAG in the group $GUESS?

Firefly and PC GAMESS-related discussion club

Re^4: Where KDIAG in the group $GUESS?

Hi,
Many thanks for an explanation. Especially I liked idea to use $group abc=defgh $end. I many times observed result of its action in case of wrong syntax, but that violently...

>The first one controls system-wide behavior, but with some exceptions.
>One of them is the initial guess procedure, so that the second
>option allows one to specify diagonalization routine used by the
>inital guess procedure. This affects time spent in the initial
>guess code but does not affect its results. This is why this option
>is not printed in the output file. This is by design and we do not
>plan to print out all of thousands alailable options which do not
>affect results of calculations but can be used to fine-tune the code.

To close a question, whether you though could specify just in case some words of the command groups resulted in management FireFly_input_ver002 which too are not printed in file OUTPUT if them to specify in INPUT?

With regards,
Alexandr

Sun Jan 9 '11 9:35pm

This message read 878 times