CCL:G: [Fwd: Re: CCL:G: Question about coding in Gaussian]
- From: Gustavo Seabra <gustavo.seabra:-:gmail.com>
- Subject: CCL:G: [Fwd: Re: CCL:G: Question about coding in
- Date: Sat, 05 May 2007 22:22:01 -0400
Sent to CCL by: Gustavo Seabra [gustavo.seabra|a|gmail.com]
george li lgh19721031*hotmail.com wrote:
Sent to CCL by: "george li" [lgh19721031-$-hotmail.com]
I am new programmer for Gaussian(03). I am trying to use COMMON block to
transfer some data between different subroutines, but when I do this, in the
sender subroutine (say L101.F) it is OK, which shows all correct values for the
variables, but in receiver subroutines (say L301.F) it cannot show correct
values, which all of them are zero.
Compilation is no problem.
Could you give me some hints for how to use COMMON block in Gaussian codes?
Thank you very much!!!
Have a great weekend!!!
It's been a couple of years since the last time I did any Gaussian
programming, so take anything I say here with a *lot* of salt :-)
As far as I remember, just by defining a common block inside one link
will not make it available for another link in Gaussian. You can think
of Gaussian links almost as independent routines. I don't remember how
to make your common block available to other routines, but I remember
that, to pass information between links, you can write that info to a
rwf, and then read it back in the next link. Gaussian has some rwf
numbers that are 'empty slots' for use in still-to-be-developed
Another thing that comes to mind is ILSW (inter-link status word), but
I'm not sure if that would work for you.
Finally, take a look into Gaussian's programmer manual, I think some
the details on how to do that should be described there. (I'm assuming
you have access to one of those... I don't anymore.)