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Candidate main #89
Merged
Lazersmoke
merged 16 commits into
SunnySuite:candidate-main
from
Lazersmoke:candidate-main
Jul 13, 2023
Merged
Candidate main #89
Lazersmoke
merged 16 commits into
SunnySuite:candidate-main
from
Lazersmoke:candidate-main
Jul 13, 2023
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* 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.
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