relax SVN archive

Molecular dynamics by NMR data analysis

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SVN archive Commit Log

Commit	Date
[r2281] by edward The optimisation algorithm used within Dasha can now be controlled.	2005-12-13 01:35:59	Tree
[r2280] by edward Completed the Dasha data extraction function. Values can now be scaled when being read from file. Minimisation statistics, specifically the chi-squared, are being read from file.	2005-12-13 01:19:38	Tree
[r2279] by edward Started to implement the Dasha results extraction function.	2005-12-12 17:22:43	Tree
[r2278] by edward Further improvements to the Dasha script creating function.	2005-12-12 16:53:08	Tree
[r2277] by edward Fixed the function for executing Dasha.	2005-12-12 04:02:52	Tree
[r2276] by edward Improvements to the Dasha script. Created a diffusion tensor function for returning Dx, Dy, and Dz. Better support for the diffusion tensor, although it may still be buggy. Input of bond length and CSA value.	2005-12-12 03:21:41	Tree
[r2275] by edward Added the function to create the Dasha script.	2005-12-12 02:39:28	Tree
[r2274] by edward Initialised the control of Dasha through relax.	2005-12-12 00:50:22	Tree
[r2273] by edward Bug fix. The OpenDX mapping function is still failing. Therefore the fixing of the diffusion tensor has been shifted to the OpenDX file 'dx/isosurface_3D.py'.	2005-12-06 06:18:55	Tree
[r2272] by edward Bug fix. The OpenDX mapping function was failing when the diffusion tensor is not fixed. The model-free function now fixes and then unfixes the diffusion tensor in the 'calculate' function. This kludge may cause bugs in the future.	2005-12-06 06:09:03	Tree

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