{ "cells": [ { "cell_type": "code", "execution_count": 2, "metadata": {}, "outputs": [ { "data": { "text/plain": [ "({},\n", " {'ion_relax': ,\n", " 'opt': ,\n", " 'static': },\n", " 56)" ] }, "execution_count": 2, "metadata": {}, "output_type": "execute_result" } ], "source": [ "from siman import header\n", "from siman.SSHTools import SSHTools\n", "from siman.calc_manage import add, res\n", "from siman.database import write_database, read_database\n", "from siman.set_functions import read_vasp_sets\n", "from siman.calc_manage import smart_structure_read\n", "%matplotlib inline\n", "read_database() # read saved database if available\n" ] } ], "metadata": { "kernelspec": { "display_name": "Python 3", "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": "3.6.8" } }, "nbformat": 4, "nbformat_minor": 2 }