Commit | Date | |
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[r18270]
by
bugman
Comment fixes in the ave_pcs_tensor_ddeltaij_dc() and pcs_constant_grad() functions. |
2013-01-23 15:15:15 | Tree |
[r18269]
by
bugman
Bug fix for the N-state model optimisation of populations and paramagnetic position. The gradient from dfunc_standard() is now correctly calculated when both are optimised. |
2013-01-23 15:11:51 | Tree |
[r18268]
by
bugman
Bug fix for the N-state model target functions - now copies of the gradient and Hessian are returned. |
2013-01-23 15:10:21 | Tree |
[r18267]
by
bugman
Expanded the N-state model target function func_standard() docstring to include the xi derivative. This is the partial derivative with respect to the paramagnetic centre position. |
2013-01-23 15:09:34 | Tree |
[r18266]
by
bugman
The probabilities and paramagnetic position can now be simultaneously in the N-state model. Such a combination would have previously failed to unpack the parameters correctly. |
2013-01-23 10:21:27 | Tree |
[r18265]
by
bugman
Added a RelaxError to the N-state model Hessian for the optimisation of the paramagnetic position. This is because these equations are not derived or coded yet. |
2013-01-23 10:08:10 | Tree |
[r18264]
by
bugman
Removed the unused parameter scaling in the N-state model gradient and Hessian target functions. |
2013-01-23 09:50:15 | Tree |
[r18263]
by
bugman
Major code simplification of the N-state model target functions. The func_tensor_opt(), dfunc_tensor_opt(), and d2func_tensor_opt() methods have been merged with the |
2013-01-23 09:49:15 | Tree |
[r18262]
by
bugman
First attempt at implementing the paramagnetic centre position gradient in the N-state model. This will be used for faster optimisation of the lanthanide position. Two new functions have been These are used by the dfunc_*() methods of the N-state model target function class. |
2013-01-22 22:07:02 | Tree |
2013-01-22 20:47:41 | Tree |