[Octopus-devel] suggestion

[Miguel Marques]

  Hi,
 
> unfortunately this is not a 1:1 mapping. Have a look at restart.test,
> this is a single test but 4 input files which depend on each other.
> 
> I think your suggestion is in principle ok., but a single field
> like 'Input' above won't do the job ... 

Yes, of course we would have to repeat the Input flag. To make it more
clear, here is an example:

2dbox.test:

Test     : 2dbox
Author   : Alberto Castro
Date     : 09.11.05
Arch     : Linux g38 2.6.13.2-smp-1 #1 SMP Wed Sep 28 17:13:12 CEST 2005
i686 GNU/Linux
Release  : 2.0.1devel
Programs : octopus
Runtime  : short-run
Enabled  : Yes

# The following tests reproduced some basic results from:
# E. Rasanen et al., Phys. Rev. B 67, 235307 (2003).

Input: 2dbox.inp
RUN
Match ; Eigenvalue ; grep -A 2 'Eigenvalues \[' static/info | tail -1 ;
\s*0.9999\d*\s*1.0000\d*

#----------------------------

Input: 2dbox_hartree.inp
RUN
Match ; Eigenvalue with Hartree interaction ; grep -A 2 'Eigenvalues \['
static/info | tail -1 ; \s*3.7689\d*\s*2.0000\d*

#-----------------------------
Input 2dbox_spin.inp
RUN
Match....


And so on and so forth... this implies trivial changes in the perl
scripts.

  cheers,
  Miguel