[pre-commit.ci] auto fixes from pre-commit.com hooks

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materialsvirtuallab · Nov 4, 2024 · 358fd9f · 358fd9f
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Showing 3 changed files with 25 additions and 26 deletions.
diff --git a/examples/Cubic Crystal Test.ipynb b/examples/Cubic Crystal Test.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "f162d338",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Introduction\n",
@@ -15,7 +15,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "5f2426c3",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -25,7 +25,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "ddfff8e3",
+   "id": "2",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -48,7 +48,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ee4ec4a6",
+   "id": "3",
    "metadata": {},
    "source": [
     "The next cell just compiles data from Wikipedia. "
@@ -57,7 +57,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8476d506",
+   "id": "4",
    "metadata": {},
    "outputs": [
     {
@@ -134,7 +134,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "039a4128",
+   "id": "5",
    "metadata": {},
    "source": [
     "In the next cell, we generate an initial structure for all the phases. The cubic constant is set to an arbitrary value of 5 angstroms for all structures. It does not matter too much what you set it to, but it cannot be too large or it will result in isolated atoms due to the cutoffs used in m3gnet to determine bonds. We then call the Relaxer, which is the M3GNet universal IAP pre-trained on the Materials Project."
@@ -143,7 +143,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "2541aebf",
+   "id": "6",
    "metadata": {},
    "outputs": [
     {
@@ -229,7 +229,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8cdd6407",
+   "id": "7",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -240,7 +240,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "b71312dc",
+   "id": "8",
    "metadata": {},
    "outputs": [
     {
@@ -1741,7 +1741,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "423e7893",
+   "id": "9",
    "metadata": {},
    "outputs": [
     {

diff --git a/examples/Relaxation of LiFePO4.ipynb b/examples/Relaxation of LiFePO4.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "556686fe",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Introduction\n",
@@ -15,7 +15,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "5818a2b9",
+   "id": "1",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -25,7 +25,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "5e008446",
+   "id": "2",
    "metadata": {},
    "outputs": [
     {
@@ -66,7 +66,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "0cc2e942",
+   "id": "3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -84,7 +84,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "f8897c0e",
+   "id": "4",
    "metadata": {},
    "outputs": [
     {
@@ -112,15 +112,15 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a9ede3fc",
+   "id": "5",
    "metadata": {},
    "source": [
     "Note that the relaxation only took < 20s."
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "d1b355f7",
+   "id": "6",
    "metadata": {},
    "source": [
     "The relaxation using the M3GNet universal IAP has brought the lattice parameters much closer to the original DFT ones and the coordinates are also within $10^{-3}$ of the original fractional coordinates."
@@ -129,7 +129,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "2abb1e07",
+   "id": "7",
    "metadata": {},
    "outputs": [
     {
@@ -151,7 +151,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "1320a18b",
+   "id": "8",
    "metadata": {},
    "outputs": [
     {
@@ -199,7 +199,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "15e61f60",
+   "id": "9",
    "metadata": {},
    "outputs": [
     {
@@ -222,7 +222,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "96bd6e24",
+   "id": "10",
    "metadata": {},
    "outputs": [
     {
@@ -245,7 +245,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "f1e46851",
+   "id": "11",
    "metadata": {},
    "outputs": [
     {
@@ -267,7 +267,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a064bd17",
+   "id": "12",
    "metadata": {},
    "source": [
     "# Phonon Band Structure and DOS\n",
@@ -278,7 +278,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "71339aa0",
+   "id": "13",
    "metadata": {},
    "outputs": [
     {
@@ -324,7 +324,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "025d5dd9",
+   "id": "14",
    "metadata": {},
    "outputs": [
     {

diff --git a/tasks.py b/tasks.py
@@ -2,7 +2,6 @@
 Pyinvoke tasks.py file for automating releases and admin stuff.
 """
 
-
 import glob
 import json
 import os