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SVN archive Commit Log


Commit Date  
[r17055] by bugman

Modified InteratomContainer.id_match() to handle a single spin ID and to match to all unique IDs.

This uses the spin container _spin_ids list private metadata structure.

2012-06-25 14:24:21 Tree
[r17054] by bugman

Small comment change.

2012-06-25 11:39:33 Tree
[r17053] by bugman

Fixes for the J(w) mapping and consistency testing analyses for the return_interatom() changes.

2012-06-25 11:32:12 Tree
[r17052] by bugman

Fixes for the model-free code for the return_interatom() changes.

2012-06-25 10:53:11 Tree
[r17051] by bugman

Fix for the XML loading backwards compatibility hook for the return_interatom() changes.

2012-06-25 10:50:05 Tree
[r17050] by bugman

Fixes for the relax 1.2 model-free results reading code for the return_interatom() changes.

2012-06-25 10:43:52 Tree
[r17049] by bugman

Fix for the dipole_pair.define user function backend for the return_interatom() changes.

2012-06-25 10:40:21 Tree
[r17048] by bugman

Split the return_interatom() function into two.

The new return_interatom() function is used for returning single interatomic data containers for
perfect matches, whereas the return_interatom_list() function is used to return a list of containers
matching a given spin. This simplifies the behaviour of the module.

2012-06-25 10:32:32 Tree
[r17047] by bugman

Fixes for some of the N-state model system tests for the interatomic data design.

2012-06-25 10:26:12 Tree
[r17046] by bugman

The RelaxNucleusError and RelaxSpinTypeError can now have the spin ID supplied.

2012-06-25 09:07:47 Tree
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