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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 månader sedan
README.md 507c73c61f Updated readme 2 månader sedan
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 månader sedan
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README.md

Charged Shells

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