[Release 1.0.7] model updates #544
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Corrected equation one by removing the incorrect $\sin\alpha$ term in equation one. Also replaced P(q) with I(q) which is more correct in this case and eventually should be normalized across all models. Also updated the "last modified by" tag
Actually, there is no need in this documentation really to go into the numerical integration detail even it if were used. But since it is not I just removed the offending line.
This should fix the BCC calculation. Still need to fix FCC and then the documentation to both.
This should fix the BCC and FCC calculations. The documentation is also fixed. Mostly this is from Jonathan Gaudet's work but some of the documentation has been updated by me.
Updated the BCC docs with corrections but more importantly adding the full description of the equations used as given by jonathan Gaudet in his latex writeup. Also fixed the unit test, but it would be helpful to have an independent assesment of the correct answers. At which point some better unit test coverage could be provided. Note that this change drops the intensities by about half!
Fixed the unit test, but it would be helpful to have an independent assesment of the correct answers. At which point some better unit test coverage could be provided.
updated comments
…f zero will yield Iq=0
This should now be correct. However I do need to fix all docs to remove referene to |f_0|^2 which is just the P(q). that will be another commit however.
Removed spurious reference to |f(0)|^2 which is just the structure factor P(q). The equation was thus essentially already given at the beginning and would have just been confusing with no real information content.
krzywon
approved these changes
Jan 27, 2023
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This cherry picks changes to two types of models.
The second bullet fixes a long standing problem with the paracrystal models (not just the documentation)