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relax 1.0.2

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Official relax releases
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relax version 1.0.2
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Keywords Diffusion tensor, model-free analysis
Release type Major feature
Release date 6 November 2005

The PDF version of the relax 1.0.2 user manual The relax 1.0.2 user manual

Description

This release corresponds to many changes to the Brownian rotational diffusion tensor.

It includes the shift to the geometric parameters:

[math] D_{iso} = \frac{1}{3} \left( D_x + D_y + D_z \right), \\ D_a = D_z - \frac{1}{2} \left( D_x + D_y \right) , \\ D_r = D_y - \frac{D_x}{2D_a} . [/math]

Numerous bugs in the old correlation time, weights, and direction cosine code have been fixed. A few of these bugs had been fixed previously but those fixes were somehow lost. Two major problems in the calculation of the Hessian of the ellipsoid direction cosines have been fixed and the ellipsoid diffusion tensor now minimises orders of magnitude faster.


Links

For reference, the following links are also part of the announcement for this release:


Announcements

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See also