URL:
http://gna.org/bugs/?18789
Summary: no error values using relax_fit.py with
non-duplicated spectra
Project: relax
Submitted by: None
Submitted on: Wed 05 Oct 2011 03:07:16 PM UTC
Category: None
Hi Elio,
Thanks for submitting a bug report. I tried to run the script, but
there was a slight problem. Could you attach the other data files to
the bug report as well? You only need the first 1 or 2 data lines,
i.e. the entire 500.xpk file should look like:
label dataset sw sf
1H 15N
Update of bug #18789 (project relax):
Status:None = Need Info
Assigned to:None = bugman
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Follow-up Comment #1:
This was first
URL:
http://gna.org/bugs/?18790
Summary: UnboundLocalError: local variable 'spin_id'
referenced before assignment
Project: relax
Submitted by: None
Submitted on: Wed 05 Oct 2011 04:07:25 PM UTC
Category: relax's source
Update of bug #18789 (project relax):
Status: Need Info = Confirmed
___
Reply to this item at:
http://gna.org/bugs/?18789
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Message sent
Ah, it's in the Grace file! I didn't see this before. The rx.out
does contain the errors, though these are quite large, probably due to
another problem. I'll look into this now.
Cheers,
Edward
On 5 October 2011 18:17, Elio Cino ec...@uwo.ca wrote:
Did the relaxation rates also have
Update of bug #18790 (project relax):
Assigned to:None = bugman
Summary: UnboundLocalError: local variable 'spin_id'
referenced before assignment = RelaxError: Negative error for spin,
minimization not possible
Update of bug #18790 (project relax):
Status:None = Confirmed
___
Reply to this item at:
http://gna.org/bugs/?18790
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Update of bug #18789 (project relax):
Status: Confirmed = Fixed
Open/Closed:Open = Closed
Operating System:None = All systems
Follow-up Comment #7, bug #18789 (project relax):
Great Edward! So was this in fact a bug? If so, how do I go about getting the
fix? Thanks.
___
Reply to this item at:
http://gna.org/bugs/?18789
Hi,
There are two options for obtaining this fix. The first is to wait
until I release relax version 1.3.13. I will first try to eliminate
the bug reported by Vitaly Vostri, and then make a release. I also
have a meeting next week I need to prepare for, so I will not be able
to release the new
Update of bug #18790 (project relax):
Status: Confirmed = Fixed
Open/Closed:Open = Closed
Operating System: GNU/Linux = All systems
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