Permitting Electrodes with Extractable Ions #483
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…ng ions. Previously WORKING_IONS appeared to be a list of 1+ and 2+ ions that was poorly named.
Codecov Report
@@ Coverage Diff @@
## main #483 +/- ##
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- Coverage 97.63% 97.56% -0.07%
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Files 115 91 -24
Lines 23900 21830 -2070
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- Hits 23334 21299 -2035
+ Misses 566 531 -35
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@acrutt Since the builders are currently using |
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The previous StructureGroupBuilder base query did not permit the processing of structures that contained ["Li", "Be", "Na", "Mg", "K", "Ca", "Rb", "Sr", "Cs", "Ba"]. However, it is possible to have insertion electrodes that contain extractable ions (e.g. ["H", "Li", "Na", "K", "Rb", "Cs", "Ag", "Cu"]) and these types of systems were being excluded from the InsertionElectrodeBuilder.
This requirement has been removed from the StructureGroupBuilder to allow the analysis of Insertion Electrodes with extractable ions. Note this is a significant change because the Insertion Electrodes will no longer be limited to systems that only contain a single mobile species, however all analysis will still only assume one species as the working ion.