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Commit Date  
[r2215] by edward

Bug fix.

In the function 'calc_diff_S2f_S2s_ts_djw_comps', the factor 'data.fact_te_djw_dti' which is not
used was being calculated rather than 'data.fact_ts_djw_dti'.

2005-11-07 05:09:07 Tree
[r2214] by edward

Clean up of the code in 'maths_fns/jw_mf_comps.py'.

2005-11-07 05:07:18 Tree
[r2213] by edward

relax release 1.0.2.

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

It includes the shift to the geometric parameters

Diso = 1/3 (Dx + Dy + Dz),
Da = Dz - 1/2(Dx + Dy),
Dr = Dy - Dx / 2Da.

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.

2005-11-06 14:37:46 Tree
[r2212] by edward

Renamed the direction cosine function from 'geometry.py' to 'direction_cosine.py'.

2005-11-06 14:29:33 Tree
[r2211] by edward

Tidy up of the direction cosine function 'maths_fns/geometry.py'.

The references to geometry have all been replaced by direction cosines.

2005-11-06 14:25:56 Tree
[r2210] by edward

Huge bug fix!

The direction cosine Hessians of the ellipsoid orientational parameters alpha, beta, and gamma were
not being constructed correctly. The second symmetric part of the Hessian of the dy and dz
direction cosines was actually set to the dx value instead of the dy or dz component.

2005-11-06 14:17:43 Tree
[r2209] by edward

Bug fix.

Removed the z component of the alpha-gamma element of the Dx Hessian. This should be zero!

2005-11-06 14:01:11 Tree
[r2208] by edward

Tidy up of the direction cosine calculating geometry function.

2005-11-06 14:00:00 Tree
[r2207] by edward

More modifications to the diffusion tensor weights.

2005-11-06 12:48:33 Tree
[r2206] by edward

Bug fix.

When the Hessian type is not supplied correctly, self.hessian_type is None and the match statements
cause a failure. This is now handled properly.

2005-11-06 12:32:40 Tree
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