relax SVN archive

Swith the looping from spin->frq to frq->spin.

Since the number of dispersion points are the same for all spins, this
allows to move the calculation of pA and kex array one level up.

This saves alot of computation.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Merged revisions 23743 via svnmerge from
svn+ssh://tlinnet@.../svn/relax/trunk

........
r23743 | tlinnet | 2014-06-08 22:42:55 +0200 (Sun, 08 Jun 2014) | 6 lines

Updated profiling text for CR72 model.

Now it is tested for 3 fields.

This is related to:
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.
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Updated profiling text for CR72 model.

Now it is tested for 3 fields.

This is related to:
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Created multi dimensional error and value numpy arrays.

This is to calculate the chi2 sum much faster.
Reordered the loop over missing data points, so it is only iniatiated if missing points is detected.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added self.has_missing keyword in initialization of the Dispersion class.

This is to test once, per spin or cluster.
This saves a looping over the dipsersion points, when collection the data.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Critical fix for the slicing of values in target function.

This makes system test: Relax_disp.test_sod1wt_t25_to_cr72 pass.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Changed that special numpy structure is also created for "CR72".

This makes most system tests pass.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added unit tests demonstrating edge cases 'no Rex' failures of the model 'CR72 full', for a clustered multi dimensional calculation.

This is implemented for three fields.

This is to implement catching of math domain errors, before they occur.

These tests cover all parameter value combinations which result in no exchange:

- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e5,
Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Re-implemented safety checks in lib/dispersion/cr72.py.

This is now implemented for both rank-1 float array and of higher dimensions.

This makes the unit tests pass for multi dimensional computing.

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.

Added unit tests demonstrating edge cases 'no Rex' failures of the model 'CR72 full', for a clustered multi dimensional calculation.

This is implemented for one field.

This is to implement catching of math domain errors, before they occur.

These tests cover all parameter value combinations which result in no exchange:

- dw = 0.0,
- pA = 1.0,
- kex = 0.0,
- dw = 0.0 and pA = 1.0,
- dw = 0.0 and kex = 0.0,
- pA = 1.0 and kex = 0.0,
- dw = 0.0, pA = 1.0, and kex = 0.0.
- kex = 1e5,

Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis.