Trusted, Bureaucrats
4,223
edits
Changes
Formatting of all symbols/parameters.
* Fixes for the old scripts/optimisation_testing.py script. This was also using the ancient self.relax code path.
* Fix for the molmol macro of the ts parameter, the spin container variable was spelt incorrectly.
* Fix for the data.align_tensor.calc_eta() function - divide by zeros are now avoided. When Azz A<sub>zz</sub> is zero, &eta ; is now set to NaN.
* Typo fix in the unused and incomplete dfunc function to remove compilation warnings on MS Windows.
* Fix for the data.align_tensor.calc_R() function - divide by zeros are now avoided. When Aa A<sub>a</sub> is zero, Ar A<sub>r</sub> is now set to NaN.
* Fix for the test_opt_constr_bfgs_mt_S2_0_970_te_2048_Rex_0_149 model-free system test on MS Windows. The te parameter check was too strict.
* Another divide by zero problem is being caught in the RDC Q-factor code.