Stefan Stoll

Results 27 comments of Stefan Stoll

Problem localized: g-to-molecular frame transformation is currently done before element-wise squaring of the g strain tensor, but must be done after squaring. Working on fix.

It turns out that this fix requires a substantial refactor of strain-related code in `resfields`, `resfields_perturb`, `resfreqs_matrix` and `resfreqs_perturb`. This is more than just a simple bug fix, so this...

Error message for 6.0.x added with 567a0c9

The transition rate for `Sys2` is twice the transition rate for `Sys1`, because the `Sx` operators are not normalized. Therefore, the transition rate depends on the number of spins,

Here is an example that illustrates the issue. The 2-spin and 1-spin spectra have different area ratios, depending on whether `Exp.Temperature` is set to a finite temperature or not. ```matlab...

We should consider making this more general: add anisotropic Gaussian and Lorentzian convolutional broadenings to ```pepper```, ```salt```, and ```chili```. For example ```Sys.lw = [0 0 0 4 5 6]``` for...

The Cornell suite of programs has two broadening tensors: * wx, wy, wz: Lorentzian, aligned with the g frame * gib0, gib2: Gaussian, associated with the director frame

gib0, gib2: They are just the isotropic and axial part of a static broadening linewidth tensor applying Gaussian convolutional broadening to MOMD simulations. gib0/gib2 is therefore identical to EasySpin's `HStrain`....

We should disable EasySpin support for reading the property files until all the bugs are fixed.

**Original comment by Stephan Pribitzer (Bitbucket: [557058:b436f856-3789-41af-afc1-0e3566ff0302](https://bitbucket.org/557058:b436f856-3789-41af-afc1-0e3566ff0302), ).** ---------------------------------------- with commit #256a686 the time axis is now created correctly. tests were added. however, a new problem arises during down conversion....