Anisotropic Lorentzian broadening
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stestoll commented
pepper
and chili
should support an anisotropic Lorentzian broadening, akin to HStrain
. It should be defined in the frequency domain, like HStrain
. This new broadening and the Lorentzian part of lw
and lwpp
should be mutually exclusive. Naming unclear.
See #57 for chili
.
Possible input syntax:
Sys.lwpp = [xG yG zG; xL yL zL]; % both Gaussian and Lorentzian anisotropic broadening
With this, the term "convolutional" broadening somewhat changes its meaning - it's not the powder spectrum that is convoluted by a lineshape, but each single-orientation spectrum separately.
Alternative: introduce two new fields:
Sys.lwppG = [xG yG zG];
Sys.lwppL = [xL yL zL];
This is a little less cryptic. Sys.lwpp
could still be supported as the abbreviated input for isotropic broadening.