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Candidate main #89

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merged 16 commits into from
Jul 13, 2023
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Lazersmoke
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Lazersmoke and others added 16 commits June 23, 2023 13:31
* Add `binned_histogram`

- Updated FeI2 example to include binning
- Added Binning Tutorial as an example (maybe this should go in a subfolder?)
- Added energy broadening for binned data
- Added `connected_path_bins` for making spaghetti plots while recording the binning parameters for each subplot (for use in Mantid)

* Add `intensities_bin_centers(swt,...)` for SWT fake-binning (The correct calculation involves integrating over bins)

* Implement histogram binned powder averaging (& added to powder tutorial)
It now automatically calculates a very conservative estimate of how many BZ's you need to fill out the histogram, or can be manually specified. The example now demonstrates plotting each BZ individually; hopefully it's not too slow!
The binwidth should always be set just a tad large so that the `binend` value always falls solidly within the last bin. This prevents "ragged edge" empty bins at the far edge of histograms
* Proposed modifications to the interface

* Standardize pretty-printing of System and StructureFactor

* Add IntensityFormula types

* Fix things in docs without tests
including arbitary single-ion anisotropy
and scalar biquadratic int.
@Lazersmoke Lazersmoke merged commit 725b471 into SunnySuite:candidate-main Jul 13, 2023
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@Lazersmoke Lazersmoke deleted the candidate-main branch July 13, 2023 17:39
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3 participants