Difference between revisions of "Relax 1.0.2"
Jump to navigation
Jump to search
m (→Description) |
(Addition of labelled section transclusion tags.) |
||
| Line 3: | Line 3: | ||
= Description = | = Description = | ||
| − | < | + | <section begin=description/> |
This release corresponds to many changes to the Brownian rotational diffusion tensor. | This release corresponds to many changes to the Brownian rotational diffusion tensor. | ||
| Line 15: | Line 15: | ||
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. | 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. | ||
| − | </ | + | <section end=description/> |
= See also = | = See also = | ||
[[Category:Release_Notes]] | [[Category:Release_Notes]] | ||
Revision as of 16:16, 10 September 2014
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.
