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A repository of Python-dependent tools for working with Xtals.jl
Xtals is a pure-Julia package for reading/writing/editing crystal structures.
Some higher-level features were previously dependent on Python packages; those have been moved here.
To obtain the package, simply add it via the REPL package manager (minimum Julia version 1.4):
pkg> add XtalsPyTools
The methods in this package require scipy and/or pymatgen to be installed.
To configure these dependencies automatically in a Julia-managed environment, use:
julia quick_setup.jl
See the Xtals.jl docs for further information.