aselimov/CACmb

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Alex Selimov 612cea3891 Fix group implementation to abide by new atom type formulation

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Fix group implementation to abide by new atom type formulation

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Working code which picks random position slightly outside element bounds

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README.md

CAC_Model_Builder

This is a tool for building models in CAC. Commands and usage options are below. This code is intended to follow the atomsk code fairly closely.

Documentation is available at: aselimov.gitlab.io/cacmb

A paper describing the use of this tool is currently in preparation.