migrate mprester to new mp_api.client

notebooks/2013-01-01-Calculating Reaction Energies with the Materials API.ipynb

@@ -47,18 +47,18 @@
     }
    ],
    "source": [
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.reaction_calculator import ComputedReaction\n",
     "from pymatgen.core import Composition\n",
     "from pymatgen.core.units import FloatWithUnit\n",
-    "from pymatgen.entries.computed_entries import ComputedEntry\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "\n",
     "# This initializes the REST adaptor. Put your own API key in if necessary.\n",
     "mpr = MPRester()\n",
     "\n",
     "# This gets all entries belonging to the Ca-C-O system.\n",
     "all_entries = mpr.get_entries_in_chemsys([\"Ca\", \"C\", \"O\"])\n",
     "\n",
+    "\n",
     "# This method simply gets the lowest energy entry for all entry with the same composition.\n",
     "def get_most_stable_entry(formula):\n",
     "    relevant_entries = [\n",

notebooks/2013-01-01-Getting crystal structures from online sources.ipynb

@@ -35,7 +35,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from pymatgen.ext.matproj import MPRester\n",
+    "from mp_api.client import MPRester\n",
     "\n",
     "# Note that you will need to add your Materials API key in your .pmgrc.yaml file as \"PMG_MAPI_KEY\".\n",
     "# Alternatively, you will need to supply the API key as an arg to MPRester.\n",

notebooks/2013-01-01-Plotting and Analyzing a Phase Diagram using the Materials API.ipynb

@@ -26,8 +26,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.phase_diagram import PDPlotter, PhaseDiagram\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "\n",
     "%matplotlib inline"
    ]

notebooks/2016-09-08-Data-driven First Principles Methods for the Study and Design of Alkali Superionic Conductors Part 2 - Phase and Electrochemical Stability.ipynb

@@ -40,6 +40,7 @@
     "\n",
     "import matplotlib as mpl\n",
     "import palettable\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.phase_diagram import (\n",
     "    CompoundPhaseDiagram,\n",
     "    PDPlotter,\n",
@@ -48,7 +49,6 @@
     "from pymatgen.core import Composition, Element\n",
     "from pymatgen.entries.compatibility import MaterialsProjectCompatibility\n",
     "from pymatgen.entries.computed_entries import ComputedEntry\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "from pymatgen.io.vasp import Vasprun\n",
     "from pymatgen.util.plotting import pretty_plot"
    ]

notebooks/2017-03-02-Getting data from Materials Project.ipynb

@@ -26,10 +26,9 @@
    "outputs": [],
    "source": [
     "import pprint\n",
-    "import re\n",
     "\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.core import Composition\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "\n",
     "# Make sure that you have the Materials API key. Put the key in the call to\n",
     "# MPRester if needed, e.g, MPRester(\"MY_API_KEY\")\n",

notebooks/2017-12-15-Plotting a Pourbaix Diagram.ipynb

@@ -72,8 +72,8 @@
    "outputs": [],
    "source": [
     "# Import necessary tools from pymatgen\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.pourbaix_diagram import PourbaixDiagram, PourbaixPlotter\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "\n",
     "%matplotlib inline\n",
     "\n",

notebooks/2018-01-01-ChemEnv - How to automatically identify coordination environments in a structure.ipynb

@@ -86,6 +86,7 @@
    "source": [
     "import logging\n",
     "\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.chemenv.coordination_environments.chemenv_strategies import (\n",
     "    SimplestChemenvStrategy,\n",
     ")\n",
@@ -94,8 +95,7 @@
     ")\n",
     "from pymatgen.analysis.chemenv.coordination_environments.structure_environments import (\n",
     "    LightStructureEnvironments,\n",
-    ")\n",
-    "from pymatgen.ext.matproj import MPRester"
+    ")"
    ]
   },
   {

notebooks/2018-03-09-Computing the Reaction Diagram between Two Compounds.ipynb

@@ -27,9 +27,9 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.phase_diagram import PhaseDiagram, ReactionDiagram\n",
-    "from pymatgen.entries.compatibility import MaterialsProjectCompatibility, ComputedEntry\n",
-    "from pymatgen.ext.matproj import MPRester"
+    "from pymatgen.entries.compatibility import ComputedEntry, MaterialsProjectCompatibility"
    ]
   },
   {

notebooks/2018-07-24-Adsorption on solid surfaces.ipynb

@@ -39,10 +39,10 @@
     "from __future__ import annotations\n",
     "\n",
     "from matplotlib import pyplot as plt\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.adsorption import *\n",
     "from pymatgen.core import Lattice, Molecule, Structure\n",
     "from pymatgen.core.surface import generate_all_slabs\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "from pymatgen.symmetry.analyzer import SpacegroupAnalyzer\n",
     "\n",
     "%matplotlib inline\n",

notebooks/2018-09-25-Structure Prediction using Pymatgen and the Materials API.ipynb

@@ -32,13 +32,13 @@
     "\n",
     "from pprint import pprint\n",
     "\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.structure_matcher import ElementComparator, StructureMatcher\n",
     "from pymatgen.analysis.structure_prediction.substitution_probability import (\n",
     "    SubstitutionPredictor,\n",
     ")\n",
     "from pymatgen.analysis.structure_prediction.substitutor import Substitutor\n",
     "from pymatgen.core.periodic_table import Specie\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "from pymatgen.transformations.standard_transformations import (\n",
     "    AutoOxiStateDecorationTransformation,\n",
     ")"

notebooks/2018-11-6-Dopant suggestions using Pymatgen.ipynb

@@ -32,12 +32,12 @@
     "\n",
     "from pprint import pprint\n",
     "\n",
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.local_env import CrystalNN\n",
     "from pymatgen.analysis.structure_prediction.dopant_predictor import (\n",
     "    get_dopants_from_shannon_radii,\n",
     "    get_dopants_from_substitution_probabilities,\n",
-    ")\n",
-    "from pymatgen.ext.matproj import MPRester"
+    ")"
    ]
   },
   {

notebooks/2019-03-11-Interface Reactions.ipynb

@@ -30,10 +30,10 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.interface_reactions import InterfacialReactivity\n",
     "from pymatgen.analysis.phase_diagram import GrandPotentialPhaseDiagram, PhaseDiagram\n",
     "from pymatgen.core import Composition, Element\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "\n",
     "%matplotlib inline\n",
     "\n",

notebooks/2021-08-26-Magnetic Structure Generation as Input for Initial DFT Calculations.ipynb

@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "2feb87ef",
+   "id": "0",
    "metadata": {},
    "source": [
     "# Magnetic Structure Generation as Input for Initial DFT Calculations\n",
@@ -14,7 +14,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f8548d15",
+   "id": "1",
    "metadata": {},
    "source": [
     "## Introduction\n",
@@ -25,7 +25,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "e167481e",
+   "id": "2",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -37,20 +37,20 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "4622d496",
+   "id": "3",
    "metadata": {},
    "outputs": [],
    "source": [
+    "from mp_api.client import MPRester\n",
     "from pymatgen.analysis.magnetism.analyzer import CollinearMagneticStructureAnalyzer\n",
-    "from pymatgen.ext.matproj import MPRester\n",
     "from pymatgen.symmetry.analyzer import SpacegroupAnalyzer\n",
     "from pymatgen.util.testing import PymatgenTest"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "299fd4df",
+   "id": "4",
    "metadata": {},
    "outputs": [
     {
@@ -104,7 +104,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e5fc1f62",
+   "id": "5",
    "metadata": {},
    "source": [
     "## Add magmoms to initial structure\n",
@@ -117,7 +117,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "7c7b6ea0",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -129,7 +129,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "94b18ea1",
+   "id": "7",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -140,7 +140,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "64729507",
+   "id": "8",
    "metadata": {},
    "outputs": [
     {
@@ -193,7 +193,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "56698524",
+   "id": "9",
    "metadata": {},
    "outputs": [
     {
@@ -211,7 +211,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "cb607211",
+   "id": "10",
    "metadata": {},
    "source": [
     "## Get space group information"
@@ -220,7 +220,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "c3e09dbc",
+   "id": "11",
    "metadata": {},
    "outputs": [
     {
@@ -242,7 +242,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "10867b71",
+   "id": "12",
    "metadata": {},
    "outputs": [
     {
@@ -263,7 +263,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "4a8ec0de",
+   "id": "13",
    "metadata": {},
    "outputs": [
     {
@@ -284,7 +284,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8703b5d7",
+   "id": "14",
    "metadata": {},
    "outputs": [
     {
@@ -339,7 +339,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9dc72f40",
+   "id": "15",
    "metadata": {},
    "source": [
     "The above structure is saved as a magCIF with .mcif extension. This can be converted back to a CIF with relevant magnetic information associated with each site. OpenBabel does this easily, on command line write-\n",
@@ -350,7 +350,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "130df9f1",
+   "id": "16",
    "metadata": {},
    "source": [
     "## Analyze magnetic moment present in a calculated structure using MAPI\n",
@@ -361,7 +361,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "e90dcfb8",
+   "id": "17",
    "metadata": {},
    "outputs": [
     {
@@ -432,7 +432,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "eb53cc57",
+   "id": "18",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -444,7 +444,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "ccedc00c",
+   "id": "19",
    "metadata": {},
    "outputs": [
     {
@@ -465,7 +465,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "d400c9af",
+   "id": "20",
    "metadata": {},
    "outputs": [
     {
@@ -486,7 +486,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "1436c1aa",
+   "id": "21",
    "metadata": {},
    "outputs": [
     {

notebooks/2021-5-12-Explanation of Corrections.ipynb

@@ -46,8 +46,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from pymatgen.entries.compatibility import MaterialsProjectCompatibility\n",
-    "from pymatgen.ext.matproj import MPRester"
+    "from mp_api.client import MPRester\n",
+    "from pymatgen.entries.compatibility import MaterialsProjectCompatibility"
    ]
   },
   {