{ "cells": [ { "cell_type": "markdown", "id": "8be5d613", "metadata": {}, "source": [ "# EAM potentials 2: Hands on" ] }, { "cell_type": "code", "execution_count": 1, "id": "5f91f58f-ef53-484d-9951-045829872567", "metadata": {}, "outputs": [], "source": [ "from pyiron import Project\n", "import numpy as np\n", "import pandas as pd\n", "import matplotlib.pyplot as plt\n", "plt.rcParams.update({\"font.size\": 12})" ] }, { "cell_type": "code", "execution_count": 2, "id": "0dde0404-8501-4649-ae81-3f008d4a76e3", "metadata": {}, "outputs": [], "source": [ "pr = Project(\".\")" ] }, { "cell_type": "markdown", "id": "97f1ec7a-4eb6-404d-afdb-0d2739255ead", "metadata": {}, "source": [ "## Training data" ] }, { "cell_type": "code", "execution_count": 3, "id": "af1bbd9f-c61b-4bc8-b122-5848537620fd", "metadata": {}, "outputs": [ { "data": { "text/html": [ "
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---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
0 | \n", "768254 | \n", "finished | \n", "None | \n", "AlEnergyBasedWeight | \n", "/AlEnergyBasedWeight | \n", "/nfshome/leimeroth/git_projects/potentials-workshop-2022/ | \n", "potentials/01-EAM/ | \n", "2022-09-02 08:38:42.271734 | \n", "2022-09-02 08:43:45.499587 | \n", "303.0 | \n", "pyiron@mogli243#1 | \n", "Atomicrex | \n", "0.4 | \n", "None | \n", "None | \n", "