On 6/25/07, Douglas Kojetin <douglas.kojetin@xxxxxxxxx> wrote:
Hi Edward,
I'm trying to write a script to calculate the chisq values for each
of the prolate rounds, but I'm having some trouble as I'm not 100%
familiar with the relax subroutines.
Your code is almost there. I think I know where the script failed though.
#--start
import glob
runs = glob.glob('prolate/round_*')
# Loop over the runs.
for name in runs:
name=name+'/aic'
run.create(name, 'mf')
results.read(name)
This should all be ok.
chi2=self.relax.data.chi2[run]
Here the 'run' variable should be replaced by 'name'.
print "%s: %1.20f" % (name, chi2)
#--end
This should also work.
But this does not seem to work. Can someone help me with the proper
code to extract chisq values from multiple runs?
If the script fails with the fix, would you be able to attach a print
out of the error message to help in solving where the script failed?
Cheers,
Edward
Re: two questions: hybrid analysis and convergence problems