taskrelax - Tasks: task #6397, Ellipsoidal chemical shift tensor...

 
 
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task #6397: Ellipsoidal chemical shift tensor and secondary dipolar relaxation.

Submitted by:  Edward d Auvergne <bugman>
Submitted on:  Wed Jan 7 13:38:29 2009  
 
Should Start On: Wed Jan 7 00:00:00 2009Should be Finished on: Wed Jan 7 00:00:00 2009
Category: relax's source codePriority: 5 - Normal
Status: Gone walkaboutPercent Complete: 0%
Assigned to: NoneOpen/Closed: Closed
Effort: 0.00

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(Jump to the original submission Jump to the original submission)

Wed Aug 24 13:41:39 2011, SVN revision 14424:

This change is related to the task #6397 (https://gna.org/task/?6397)

kada at chemi dot muni dot cz

https://mail.gna.org/public/relax-devel/2011-03/msg00001.html
https://gna.org/task/download.php?file_id=13916

This patch includes change in the functions calc_(d,d2)noe in a file maths_fns/ri.py, where
(d,d2)ri_prime was renamed to (d,d2)ri. This patch covers also the related change of names in the
function init_res_r1_data (class Mf, maths_fns/mf.py), where the variables are initialized.

(Browse SVN revision 14424)

Edward d Auvergne <bugman>
Project Administrator
Tue Mar 1 12:30:20 2011, SVN revision 12644:

This change is related to the task #6397 (https://gna.org/task/?6397)

kada at chemi dot muni dot cz

https://mail.gna.org/public/relax-devel/2011-03/msg00001.html
https://gna.org/task/download.php?file_id=12603

This patch includes change in the functions calc_(d,d2)noe in a file maths_fns/ri.py, where
(d,d2)ri_prime was renamed to (d,d2)ri. This patch covers also the related change of names in the
function init_res_r1_data (class Mf, maths_fns/mf.py), where the variables are initialized.

(Browse SVN revision 12644)

Edward d Auvergne <bugman>
Project Administrator
Tue Mar 1 08:57:46 2011, SVN revision 12636:

This change is related to the task #6397 (https://gna.org/task/?6397)

kada at chemi dot muni dot cz

https://mail.gna.org/public/relax-devel/2011-02/msg00088.html
https://gna.org/task/download.php?file_id=12598

This patch includes change in init_res_data function of class Mf in a file maths_fns/mf.py. The
function is split into init_interaction_data and init_spin_data. The initializations of
data.ri_prime, data.dri_prime, and data.d2ri_prime are excluded. Calls for both newly introduced
functions are incorporated in the patch.

(Browse SVN revision 12636)

Edward d Auvergne <bugman>
Project Administrator
Fri Feb 25 18:47:38 2011, SVN revision 12635:

This change is related to the task #6397 (https://gna.org/task/?6397)

kada at chemi dot muni dot cz

https://mail.gna.org/public/relax-devel/2011-02/msg00076.html
https://gna.org/support/download.php?file_id=12556

This patch includes change in func_mf, func_local_tm, func_diff, func_all, dfunc_mf, dfunc_local_tm,
dfunc_diff, dfunc_all, d2func_mf, d2func_local_tm, d2func_diff, d2func_all functions of class Mf in
a file maths_fns/mf.py. The functions were modified in order to handle data for more interactions.

Due to the equality of (d,d2)ri and (d,d2)ri_prime variables, the (d,d2)ri_prime were replaced by
(d,d2)ri and the equality was removed. Moreover, (d,d2)ri was redefined as a cumulative sum of
individual interaction contributions to the total relaxation rate or corresponding derivatives.

(Browse SVN revision 12635)

Edward d Auvergne <bugman>
Project Administrator
Mon Dec 6 18:03:07 2010, SVN revision 11705:

Introduction of looping over the relaxation interactions.

This is the application of patch00004 by Pavel Kaderavek .
The patch is attached to task #6397 (https://gna.org/task/?6397).

This patch introduces the looping over all relaxation interactions within the model-free target
functions.

(Browse SVN revision 11705)

Edward d Auvergne <bugman>
Project Administrator
Fri Sep 10 13:32:46 2010, SVN revision 11542:

This change is related to the task #6397 (https://gna.org/task/?6397).

kada at chemi dot muni dot cz

https://mail.gna.org/public/relax-devel/2010-07/msg00029.html
https://gna.org/task/download.php?file_id=9687

This patch includes change in _init_ function of class Mf in a file maths_fns/mf.py. Function was
modified in order to handle data for more interactions. Also documentation string was updated
according to the changes of function arguments.

(Browse SVN revision 11542)

Edward d Auvergne <bugman>
Project Administrator
Fri Sep 10 13:30:10 2010, SVN revision 11541:

This change is related to the task #6397 (https://gna.org/task/?6397)

kada at chemi dot muni dot cz

https://mail.gna.org/public/relax-devel/2010-03/msg00057.html
https://gna.org/task/download.php?file_id=9686

This patch includes change of name xh_unit_vector to more general name unit_vector.

(Browse SVN revision 11541)

Edward d Auvergne <bugman>
Project Administrator
Fri Nov 27 11:43:10 2009, comment #1:

This file is the CST code from Pavel Kaderavek <kada att chemi dot muni dot cz> which was, in the past, located at
https://www.ncbr.chemi.muni.cz/~kada/relax-1.2.10_cst.tar. Note that the attached file has the 'backup' directory containing the test data removed.

(file #7390)

Edward d Auvergne <bugman>
Project Administrator
Wed Jan 7 13:38:29 2009, original submission:

This task is for attaching patches and other files for the development of the 'cst' branch. For details see the thread starting at https://mail.gna.org/public/relax-devel/2008-12/msg00045.html.

Edward d Auvergne <bugman>
Project Administrator

 

(Note: upload size limit is set to 1024 kB, after insertion of the required escape characters.)

Attach File(s):
   
   
Comment:
   

Attached Files
file #13916:  patch00008 added by kada (6kB - application/octet-stream)
file #12603:  patch00007 added by kada (3kB - application/octet-stream)
file #12598:  patch00006 added by kada (2kB - application/octet-stream)
file #12556:  patch00005 added by kada (7kB - application/octet-stream)
file #11449:  patch00004 added by kada (23kB - application/octet-stream)
file #9687:  patch00003 added by kada (12kB - application/octet-stream)
file #9686:  patch00002 added by kada (6kB - application/octet-stream)
file #7390:  relax-1.2.10_cst.part.tar.bz2 added by bugman (796kB - application/x-bzip)

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -unavailable- added by kada (Updated the item)
  • -unavailable- added by bugman
  • -unavailable- added by bugman
  • -unavailable- added by bugman (Submitted the item)
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    Follow 15 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Thu Jan 10 15:24:41 2013bugmanStatusPostponed=>Gone walkabout
      Open/ClosedOpen=>Closed
    Thu Jan 10 15:24:23 2013bugmanStatusIn Progress=>Postponed
    Fri Aug 19 09:38:32 2011kadaAttached File-=>Added patch00008, #13916
    Tue Mar 1 11:52:43 2011kadaAttached File-=>Added patch00007, #12603
    Mon Feb 28 15:44:23 2011kadaAttached File-=>Added patch00006, #12598
    Fri Feb 25 16:51:24 2011kadaAttached File-=>Added patch00005, #12556
    Mon Nov 29 22:19:35 2010kadaAttached File-=>Added patch00004, #11449
    Tue Aug 3 17:53:28 2010kadaAttached File-=>Added patch00003, #9687
    Tue Aug 3 17:27:44 2010kadaAttached File-=>Added patch00002, #9686
    Tue Apr 6 07:15:38 2010bugmanStatusGone walkabout=>In Progress
    Fri Nov 27 11:57:22 2009bugmanStatusIn Progress=>Gone walkabout
    Fri Nov 27 11:43:10 2009bugmanAttached File-=>Added relax-1.2.10_cst.part.tar.bz2, #7390
      Carbon-Copy-=>Added pavel kaderavek
      Carbon-Copy-=>Added petr novak
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