From 957c7b258c9817e3023a953d533e003fa6aa3807 Mon Sep 17 00:00:00 2001 From: Killian Date: Mon, 11 Mar 2024 13:18:00 -0400 Subject: [PATCH] reandme and tutorial --- examples/fcc_ternary_system.ipynb | 17 ++++++----------- 1 file changed, 6 insertions(+), 11 deletions(-) diff --git a/examples/fcc_ternary_system.ipynb b/examples/fcc_ternary_system.ipynb index 09061d7..f7fe539 100644 --- a/examples/fcc_ternary_system.ipynb +++ b/examples/fcc_ternary_system.ipynb @@ -6,7 +6,12 @@ "source": [ "# ChemicalMotifIdentifier\n", "\n", - "**To reviewers:** As we are keeping these codes private untill acceptance of the work, the PyPi installation of the package will not work. Please follow the instructions below to install all packages and dependencies.\n" + "**To reviewers:** As we are keeping these codes private untill acceptance of the work, the PyPi installation of the package will not work. Please follow the instructions below to install all packages and dependencies.\n", + "\n", + "This is a quick tutorial on:\n", + "1. Analytically obtaining a pattern inventory for a ternary system (CrCoNi) in the fcc crystal structure. \n", + "1. Obtaining the pattern inventory with ML and creating a physically constrained embedding space from which we can compute dissimilarities between motifs. \n", + "1. Computing dissimilarity between motifs in atomistic data." ] }, { @@ -38,16 +43,6 @@ "! pip install rich" ] }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "This is a quick tutorial on:\n", - "1. Analytically obtaining a pattern inventory for a ternary system (CrCoNi) in the fcc crystal structure. \n", - "1. Obtaining the pattern inventory with ML and creating a physically constrained embedding space from which we can compute dissimilarities between motifs. \n", - "1. Computing dissimilarity between motifs in atomistic data." - ] - }, { "cell_type": "code", "execution_count": 4,