[CPMD-list] code problem with TISTACK(NTIMX)

[Christian Tuma]

Hello Juerg and Salomon,

On Tue, May 18, 2004 at 04:58:04PM +0200, Juerg Hutter wrote:
> the problem is in cnstfc.F, use the following order of
> statements at line 19
> 
>       CNMAX=0.0D0
> C     No constraints -> return.
>       IF(MCNSTR.EQ.0) RETURN
>       CALL TISET('    CNSTFC',ISUB)
> 
> This will fix the problem.
> 
> Juerg

Yes, it works fine now. Thank you very much!

cheers,
Christian.

-- 
Christian Tuma             Humboldt-Universitaet Berlin
ct at chemie.hu-berlin.de     Arbeitsgruppe Quantenchemie (Prof. Sauer)
phone: +49-30-20937140     Brook-Taylor-Str. 2, 12489 Berlin, GERMANY
fax:   +49-30-20937136     http://www.chemie.hu-berlin.de/ag_sauer