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arvk / xtal

xtal is an umbrella package for various tools used to manipulate atomic trajectories
MIT License
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Add methods to generate polycrystalline structures #5

Closed arvk closed 1 year ago

arvk commented 1 year ago

Can now use the rotate3 function + some voronoi package to generate polycrystalline structures

arvk commented 1 year ago

Added make_polycrystal method in 21a26ae41cf22d9b58afaca45ba40178f4f93f03 . Uses tess and rotate_euler to make polycrystalline structures