[Ifeffit-devel] Local FEFF templates for Atoms

[Ravel, Bruce]

Hi Mauro,

Any file that you put in $HOME/.horae/atp with a ".atp" extension will show in Artemis in the list for the atoms->template preference and among the choices in Theory->Write special output.  You can also use it as the argument of  the -t flag in the command line atoms.

As for Demeter, I haven't yet gotten around to making it easy to restructure Atoms output.  Now that I know you are interested, I'll move it up the priority list.

B

--
 Bruce Ravel  ----------------------------------- bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at Brookhaven National Laboratory
 Building 535A
 Upton NY, 11973

 My homepage:    http://cars9.uchicago.edu/~ravel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/




-----Original Message-----
From: ifeffit-devel-bounces at millenia.cars.aps.anl.gov on behalf of Mauro Rovezzi
Sent: Wed 11/4/2009 7:05 AM
To: development for Ifeffit and related programs
Subject: [Ifeffit-devel] Local FEFF templates for Atoms
 
Dear all,

I have a stupid question about Atom Template Files (atp) usage by
command line "atoms": how to use "local" template files instead of
"global"? 

First of all, let me explain my situation (maybe I'm missing some
points): I want to use a custom template for atoms, myfeffx.atp, and
at the moment the '-t myfeffx.atp' option works only if this file is
located in

/usr/local/share/perl/5.10.0/Xray/atp/

while does not work if I put it elsewhere and specify the full path
'-t $LOCATION/myfeffx.atp'.

This is annoying if I want to manage my templates in a script, so do
you have an idea for a more elegant solution?

Thanks,
Mauro

PS: It seems to me that this problem would be the same in Demeter
since the Write() method do not permit to specify a custom FEFF
template.  
_______________________________________________
Ifeffit-devel mailing list
Ifeffit-devel at millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit-devel

-------------- next part --------------
A non-text attachment was scrubbed...
Name: not available
Type: application/ms-tnef
Size: 3823 bytes
Desc: not available
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit-devel/attachments/20091104/f9e329fc/attachment.bin>