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Re^2: Where KDIAG in the group $GUESS?

Alexandr
planfactor@mail.ru


On Sun Jan 2 '11 3:12am, Alex Granovsky wrote
---------------------------------------------
>Hi,

>it is still here in $guess. It simply is not printed out in the listing.

>Regards,
>Alex Granovsky
>
>
>On Fri Dec 24 '10 11:23pm, Alexandr wrote
>-----------------------------------------
>>Hi,
>>Why in the listing output file in the text
>>-------------------------------------------------- -
>>GUESS OPTIONS
>>-------------------------------------------------- -
>>does not appear KDIAG = 0, although the input file, this command I am asking explicitly?
>>Checking the correctness of the group $GUESS command exetyp=check shows that "check shows $GUESS GROUP SYNTAX IS OK". And given the available: GUESS, MIX, TOLZ, NORB, PRTMO, TOLE, NORDER and SYMDEN. And there is no mention KDIAG!
>>(As we know from the mannual in this group by default KDIAG = 3) ...
>>Is this team in this group is ignored?

>>regards,
>>Alexandr

Hi,
  Command KDIAG=0 in documentation FireFly_input_rev002 is new as it is allocated by red colour. Actually, this command not new, and for it, possibly, the new code, than at Gamess (US) (look the text for KDIAG=1) is written. I do not have last version Gamess (US), but it is interesting, and in this program is not displayed KDIAG=0 in group $guess?
  If it is not displayed, this error in a code has passed in FireFly from Gamess (US) and code FireFly should be corrected. Otherwise what for then listing of commands in OUTPUT is necessary? I answer itself: to check up, whether took FireFly this command in work, instead of has ignored it.
  So, unfortunately, I have spent a lot of time, yet have not found out that FireFly ignores many commands from code Chem (Bio) 3D (CSGamess CambridgeSoft Corp.). Because of it there were my questions at the Forum:
 
  http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35d7f1aa6eEV-7389-47-00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C35d7f1aa6eEV-7389-47-00.htm          
  http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7391-1334+00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C34df668afbHW-7391-1334+00.htm

What do you think of my offer?

With regards,
Alexandr


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