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Atomistic playground
Building things with ASE

Here is an ongoig collection of experiments of construction - using the atomic simulation environment (ASE) to build atomistic structures of the kind that are used to run atomistic simulations. As a matter of convenience I'm not converting the jupyter notebooks that I write these examples in into markdown. Instead I'm hosting the notebook on github and rendering it through nbviewer. This may change later. For now the notebook is best viewed on the nbviewer site, but I embed it here also:

<iframe src="https://nbviewer.jupyter.org/github/jkshenton/atomistic_playground/blob/master/building_things_with_ase.ipynb" width="100%" height="800"> </iframe>