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Andraz Gnidovec 507c73c61f Updated readme 2 months ago
analysis 9b822718dc Fixed return type hints 2 months ago
charged_shells 3b24529faf Some bug fixed and naming changes 7 months ago
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. 7 months ago
README.md 507c73c61f Updated readme 2 months ago
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. 7 months ago
setup.py 1bcd01ad61 Added readme 2 months ago

README.md

Charged Shells

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