populate "Generated by" in EnergyAdjustment generated by MP2020 and fix serialization bug #1960
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Populate the
cls
kwarg when creatingEnergyAdjustment
withinMaterialsProject2020Compatibility
. This information will be helpful in tracking the provenance of energy adjustments.Now that the
cls
kwarg is populated as intended, executingComputedEntry.energy_adjustments
on an entry that has been processed with the MP2020 correction scheme should generate output similar toWhereas before, the "Generated by:" line read
None
In addition, I discovered that several classes inherited from
EnergyAdjustment
(includingCompositionEnergyAdjustment
, which is used by MP2020) were not serializing properly. This was because thedescription
attribute was being modified during init and because some kwargs were not stored as attributes. This PR also fixes those problems.