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Description
Translate the current periodic module code and associated CSV files into a HDF5 structure that can be accessed via Species class @Property methods.
Modules associated with this change:
periodic.py
species.py
Data files associated with change:
data csv
data provenance & descrption
Example of current Species property method affected by change:
Lines 472 to 482 in 464f116
Tasks
- Port information in csv files to HDF5 format (e.g., atomic number, symbol, covalent radius, etc.). This step may involve deciding a data schema for the HDF5 file and writing a script to port the data.
- Refactor the periodic module
- Refactor Species to load periodic data from HDF5;relevant function:
Line 65 in 464f116
- Fix periodic test module