{ "cells": [ { "cell_type": "code", "execution_count": 1, "id": "7b6c6850-09c2-4895-9e09-cd2b87992b9e", "metadata": {}, "outputs": [], "source": [ "import pyscal.crystal_structures as pcs\n", "import pyscal.core as pc\n", "from pyscal.atoms import Atoms" ] }, { "cell_type": "code", "execution_count": 2, "id": "7492a5e0-b155-4f66-b1b0-7ee2fba93cef", "metadata": {}, "outputs": [], "source": [ "atoms, box = pcs.make_crystal(structure=\"fcc\", repetitions=2)" ] }, { "cell_type": "code", "execution_count": 3, "id": "f1e356d9-7770-4b8e-aad6-b0b6d96058dc", "metadata": {}, "outputs": [], "source": [ "at = Atoms()\n", "at.from_dict(atoms)" ] }, { "cell_type": "code", "execution_count": 8, "id": "aaf8b8ba-e899-4c50-a0df-362972828e85", "metadata": {}, "outputs": [ { "data": { "text/plain": [ "[False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False,\n", " False]" ] }, "execution_count": 8, "metadata": {}, "output_type": "execute_result" } ], "source": [ "at.mask.primary" ] }, { "cell_type": "code", "execution_count": null, "id": "51502ab1-49f8-4c75-a9d1-1b9f72c0f309", "metadata": {}, "outputs": [], "source": [] } ], "metadata": { "kernelspec": { "display_name": "Python 3 (ipykernel)", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.10.6" } }, "nbformat": 4, "nbformat_minor": 5 }