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Commit Date  
[r2608] by bugman

Fix for bug #7334 (https://gna.org/bugs/index.php?7334).

The problem was that the relax base class in the PDB class of 'prompt/pdb.py' was set to
'self.__relax__'. However two lines were attempting to use 'self.relax'.

2006-10-07 17:24:08 Tree
[r2607] by bugman

Fix for bug #7333 (https://gna.org/bugs/index.php?7333).

The three tests of the test-suite have been modified to use the correct PDB functions. A few calls
to the user function 'pdb.vectors()' needed to be added and the 'heteronuc' and 'proton' argments
to the 'pdb.read()' funtion had to be removed.

2006-10-07 17:13:42 Tree
[r2606] by bugman

Ported r2605 from the 1.2 line.

The command used was:
$ svn merge -r2604:2605 svn+ssh://bugman@.../svn/relax/1.2

This fixes bug #7277 (https://gna.org/bugs/?7277).

2006-10-07 15:35:24 Tree
[r2605] by bugman

Fix for bug #7277 (https://gna.org/bugs/?7277).

This bug was reported by Alex Hansen. The problem was that the
'self.relax.generic_fns.palmer.create()' function was skipping spins when no relaxation data was
present whereas the complementary funtion 'self.relax.generic_fns.palmer.extract()' was not skipping
these spins. Hence the second of these functions was expecting more spins than were in the
modelfree4 generated 'mfout' file.

2006-10-07 15:32:17 Tree
[r2604] by bugman

Created the JOBS file. This file describes the roles of the relax manager positions.

2006-10-07 11:28:39 Tree
[r2603] by bugman

Ported r2600 from the 1.2 line.

The command used was:
svn merge -r2599:2600 svn+ssh://bugman@.../svn/relax/1.2

This fixes bug #7297 (https://gna.org/bugs/index.php?7297).

2006-10-07 08:52:57 Tree
[r2602] by bugman

Ported r2599 from the 1.2 line.

The command used was:
$ svn merge -r2598:2599 svn+ssh://bugman@.../svn/relax/1.2

This changes 'Sconstruct' to 'SCons' in the relax manual.

2006-10-07 08:49:58 Tree
[r2601] by bugman

Splitting of the 'pdb()' user function into 'pdb.read()' and 'pdb.vectors()' (task #3838).

These changes complete task #3838 (https://gna.org/task/?3838). The details of the changes were
discussed at https://mail.gna.org/public/relax-users/2006-10/msg00002.html (Message-id:
<7f080ed10610032153o4571935bq138d2739f55ca3bd@...>).

The only difference between the post proposing the changes and the actual changes is that the
proposed user function 'pdb.set_vectors()' is actually now called 'pdb.vectors()'.

2006-10-06 06:55:01 Tree
[r2600] by bugman

Fix for bug #7297 (https://gna.org/bugs/index.php?7297).

This bug was reported by Alex Hansen. The problem was that relax was being too strict with the
checking of the Da and Dr diffusion tensor parameters. I have added a margin of error to these
checks to allow machine precision errors and optimisation precision issues (for the Method of
Multipliers constraint algorithm which allows the parameters outside of the limits).

2006-10-04 05:36:41 Tree
[r2599] by bugman

Changed all references to Sconstruct in the manual to SCons. The program is really called SCons!

2006-10-04 05:11:26 Tree
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