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charged-shells
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Andraz Gnidovec 507c73c61f Updated readme hai 2 meses
analysis 9b822718dc Fixed return type hints hai 2 meses
charged_shells 3b24529faf Some bug fixed and naming changes hai 7 meses
tests fe723eb4e2 charged_shells is now a package, with a large refactor of expansion construction using factory functions. Analysis now handles config loading in a separate python file. hai 7 meses
README.md 507c73c61f Updated readme hai 2 meses
requirements.txt fe723eb4e2 charged_shells is now a package, with a large refactor of expansion construction using factory functions. Analysis now handles config loading in a separate python file. hai 7 meses
setup.py 1bcd01ad61 Added readme hai 2 meses

README.md

Charged Shells

Implementation of the charged shell electrostatic model and mapping to the internal charge model.