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Commit Date  
[r2203] by edward

Updating the manual to reflect the new diffusion tensor and expansion of the abbreviations.

A small bit of inconsequential formatting to the correlation time file was also included.

2005-11-06 11:32:17 Tree
[r2202] by edward

Destroying the diffusion tensor branch.

2005-11-06 10:32:27 Tree
[r2201] by edward

Merged the diffusion tensor branch back into the main development line.

The branch existed from r2178 to r2199 and was merged with the command:

$ svn merge file:///data1/src/repositories/relax/1.0@... file:///data1/src/repositories/relax/branches/diff_tensor@...

All references to isotropic, axially symmetric, and fully anisotropic diffusion have been changed to
sphere, spheroid, and ellipsoid. The geometric parameters of the Brownian diffusion tensor are now
defined as

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

and the weight and correlation time functions for calculating the value, gradient, and Hessian have
been updated to match these equations. Many old bugs in the ellipsoid and spheroid Hessians have
been removed.

2005-11-06 10:31:10 Tree
[r2200] by edward

Merged the main line revisions 2179 to 2199 into this diffusion tensor branch.

The command used was:

$ svn merge -r2179:2199 ///data1/src/repositories/relax/1.0/

2005-11-06 05:18:16 Tree
[r2199] by edward

Bug fix.

The Da and Dr parameters are now properly constrained to

Da >= 0,
0 <= Dr <= 1.

2005-11-06 04:39:05 Tree
[r2198] by edward

Bug fix.

Lots of fixes to the ellipsoid weights functions, gradients, and Hessians.
Fixed the correlation time gradient of the ellipsoid.
Dr is no longer scaled to 1e7.

2005-11-06 04:34:09 Tree
[r2197] by edward

Removed debugging code.

2005-11-06 02:03:44 Tree
[r2196] by edward

Fixed the conversion between different geometric diffusion parameters.

These include tm, Diso, Da, Dratio, Dpar, Dper, Dx, Dy, Dz, and Dr.

2005-11-06 02:01:31 Tree
[r2195] by edward

Bug fixes to the spheroid weights.

2005-11-06 01:53:01 Tree
[r2194] by edward

Fixed the diffusion tensor geometry function.

For the ellipsoid, delta_alpha, delta_beta, and delta_gamma were changed to dx, dy, and dz.
For the spheroid, delta was changed to dz.
psi was changed to O.

2005-11-06 01:08:35 Tree
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