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SVN archive Commit Log


Commit Date  
[r16992] by bugman

Bug fix for the relax_data.copy user function - it can now handle spins without relaxation data.

2012-06-19 23:33:02 Tree
[r16991] by bugman

Bug fixes for the model-free back-calculation for the interatomic data design.

2012-06-19 23:27:01 Tree
[r16990] by bugman

Fix for the dipole_pair.define user function for when no structural data is present.

2012-06-19 23:12:31 Tree
[r16989] by bugman

The sequence.attach_protons user function now sets the proton element and isotope types.

This reduces the amount of work required from the user.

2012-06-19 23:00:48 Tree
[r16988] by bugman

Rearranged the spin.element user function arguments.

2012-06-19 22:55:52 Tree
[r16987] by bugman

Bug fix for the model-free overfit_deselect() method - again for the interatomic design.

2012-06-19 22:40:38 Tree
[r16986] by bugman

Created the sequence.attach_proton user function.

This will be useful for analyses which are missing structural data.

2012-06-19 22:32:25 Tree
[r16985] by bugman

The dipole_pair user functions now fail if nothing could be done.

This is for the dipole_pair.define, dipole_pair.read_dist, and dipole_pair.set_dist user functions.

2012-06-19 22:11:50 Tree
[r16984] by bugman

Another fix for the model-free calculate() method.

2012-06-19 21:55:42 Tree
[r16983] by bugman

A fix for the model-free calculate() method for the interatomic data design.

2012-06-19 21:52:34 Tree
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