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SVN archive Commit Log


Commit Date  
[r7155] by bugman

Fixes for the __minimise_setup_pcs() method.

Multi-dimensional arrays were not being properly created or referenced.

2008-08-11 17:42:13 Tree
[r7154] by bugman

The load_spins() function is now either loading the average or all atom positions.

2008-08-11 16:53:05 Tree
[r7153] by bugman

Renamed the ave arg of structure.load_spins() to ave_pos.

2008-08-11 16:46:21 Tree
[r7152] by bugman

Added the ave arg to the structure.load_spins() user function.

2008-08-11 16:45:14 Tree
[r7151] by bugman

Redesigned the __minimise_setup_pcs() method.

2008-08-11 14:48:36 Tree
[r7150] by bugman

Fixes for the PCS constant, as it is dependent on the indices i, j and c.

These are:
i, the experiment or alignment index,
j, the spin index,
c, the state index.

2008-08-11 14:01:02 Tree
[r7149] by bugman

Added Boltzmann's constant to the physical_constants module.

2008-08-11 13:41:13 Tree
[r7148] by bugman

Wrote the pcs_constant() function to calculate the pseudocontact shift constant.

2008-08-11 13:37:06 Tree
[r7147] by bugman

Merged revisions 7128-7129 via svnmerge from
svn+ssh://bugman@.../svn/relax/1.3

........
r7128 | bugman | 2008-08-10 00:02:18 +0200 (Sun, 10 Aug 2008) | 3 lines

Renamed the 'clean_temp' and 'clean' scons targets to 'clean' and 'clean_all' respectively.
........
r7129 | bugman | 2008-08-10 13:50:55 +0200 (Sun, 10 Aug 2008) | 3 lines

The Monte Carlo error_analysis() function now uses the unimplemented specific model_loop() method.
........

2008-08-11 13:29:48 Tree
[r7146] by bugman

Fixed the atom_loop() call in __minimise_setup_pcs().

2008-08-11 13:28:34 Tree
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