ISISNeutronMuon / ISISNeutronMuon/MDMC

incorrect incoherent scattering length from periodictable

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bug P4
Dominant language
Python
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2d 4h
Merged PRs (30d)
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Description

We appear to be using the wrong property when looking up incoherent scattering lengths from the `periodictable` module, such as when we calculate the incoherent scattering length:
https://github.com/MDMCproject/MDMCv0.2_pilot/blob/f9d48cefbf27d4a7b2492a76f5c3b30dbc80dcdd/MDMC/trajectory_analysis/observables/fqt.py#L939
The property `b_c_i` refers to the "imaginary bound coherent scattering length", see https://github.com/python-periodictable/periodictable/blob/0b8ba54b6fe9ff5ace0dba0eef23cf485962f5a8/periodictable/nsf.py#L363 for reference.

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Research direction

Start at MDMC/trajectory_analysis/observables/fqt.py line 939 and compare the scattering-length property with the definition in periodictable/nsf.py around line 363. Confirm which property represents incoherent scattering length and update the lookup; done means the calculation no longer uses b_c_i for this quantity.

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Assessment

Tech stack
python
Domain
data
Issue type
Bug
Difficulty
2/5
Estimated time
1-3 hours
Activity status
Stale
Clarity
Clearly specified
Newbie friendliness
58/100

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