Commit | Date | |
---|---|---|
[r11047]
by
bugman
The unit bond vector is now normalised - just in case - in the ri_data() function. |
2010-03-19 16:23:31 | Tree |
[r11046]
by
bugman
Fix for the tensor_setup() function. The Dx, Dy, and Dz values were not being used (they were hardcoded). |
2010-03-19 16:13:25 | Tree |
2010-03-19 15:49:14 | Tree | |
[r11044]
by
bugman
Added system tests checking the back-calculated relaxation data for all diffusion tensor types. |
2010-03-19 14:46:53 | Tree |
[r11043]
by
bugman
Fix for the generate_data.pdb() function. The returned vectors are now rotated to the diffusion tensor frame and are rearranged to match the |
2010-03-19 14:34:21 | Tree |
[r11042]
by
bugman
Modified the ri_back_calc.py to back calculate the relaxation data for the given tensor. |
2010-03-19 14:22:09 | Tree |
[r11041]
by
bugman
Copied the tensor_opt.py script to start testing the relaxation data back calculation by relax. |
2010-03-19 14:04:17 | Tree |
2010-03-19 14:01:44 | Tree | |
[r11039]
by
bugman
Modified the diffusion tensor optimisation system test script for stand-alone operation. |
2010-03-19 13:51:52 | Tree |
2010-03-19 13:48:22 | Tree |