Minor update to tutorials (#1128)

* include gruneisen workflow in tutorials list

* hide warnings

* fix linting

* Update tutorials.md

---------

Co-authored-by: J. George <[email protected]>

Author: naik-aakash

tutorials/force_fields/phonon_workflow.ipynb

@@ -24,6 +24,7 @@
    "outputs": [],
    "source": [
     "import tempfile\n",
+    "import warnings\n",
     "from pathlib import Path\n",
     "\n",
     "tmp_dir = tempfile.mkdtemp()\n",
@@ -70,6 +71,8 @@
     "\n",
     "from atomate2.forcefields.flows.phonons import PhononMaker\n",
     "\n",
+    "warnings.filterwarnings(\"ignore\")\n",
+    "\n",
     "flow = PhononMaker(\n",
     "    min_length=3.0,\n",
     "    born_maker=None,\n",
@@ -99,6 +102,8 @@
    "source": [
     "from atomate2.forcefields.jobs import ForceFieldRelaxMaker, ForceFieldStaticMaker\n",
     "\n",
+    "warnings.filterwarnings(\"ignore\")\n",
+    "\n",
     "flow = PhononMaker(\n",
     "    min_length=3.0,\n",
     "    use_symmetrized_structure=\"conventional\",\n",

tutorials/grueneisen_workflow.ipynb

@@ -23,6 +23,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "import warnings\n",
+    "\n",
     "from mock_vasp import TEST_DIR, mock_vasp\n",
     "\n",
     "ref_paths = {\n",
@@ -72,6 +74,8 @@
     "\n",
     "from atomate2.vasp.flows.gruneisen import GruneisenMaker, PhononMaker\n",
     "\n",
+    "warnings.filterwarnings(\"ignore\")\n",
+    "\n",
     "job_store = JobStore(\n",
     "    MemoryStore(),\n",
     "    additional_stores={\"data\": MemoryStore()},\n",

tutorials/lobster_workflow.ipynb

@@ -23,6 +23,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "import warnings\n",
+    "\n",
     "from mock_lobster import mock_lobster\n",
     "from mock_vasp import TEST_DIR, mock_vasp\n",
     "\n",
@@ -59,6 +61,8 @@
     "from atomate2.vasp.flows.lobster import LobsterMaker, VaspLobsterMaker\n",
     "from atomate2.vasp.powerups import update_user_incar_settings\n",
     "\n",
+    "warnings.filterwarnings(\"ignore\")\n",
+    "\n",
     "job_store = JobStore(MemoryStore(), additional_stores={\"data\": MemoryStore()})\n",
     "si_structure = Structure.from_file(TEST_DIR / \"structures\" / \"Si.cif\")"
    ]

tutorials/phonon_workflow.ipynb

@@ -15,6 +15,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "import warnings\n",
+    "\n",
     "from mock_vasp import TEST_DIR, mock_vasp\n",
     "\n",
     "ref_paths = {\n",
@@ -75,6 +77,8 @@
     "\n",
     "from atomate2.vasp.flows.phonons import PhononMaker\n",
     "\n",
+    "warnings.filterwarnings(\"ignore\")\n",
+    "\n",
     "job_store = JobStore(MemoryStore(), additional_stores={\"data\": MemoryStore()})\n",
     "si_structure = Structure.from_file(TEST_DIR / \"structures\" / \"Si.cif\")"
    ]

tutorials/qha_workflow.ipynb

@@ -23,6 +23,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "import warnings\n",
+    "\n",
     "from mock_vasp import TEST_DIR, mock_vasp\n",
     "\n",
     "ref_paths = {\n",
@@ -158,6 +160,8 @@
     "from atomate2.vasp.jobs.phonons import PhononDisplacementMaker\n",
     "from atomate2.vasp.sets.core import StaticSetGenerator, TightRelaxSetGenerator\n",
     "\n",
+    "warnings.filterwarnings(\"ignore\")\n",
+    "\n",
     "phonon_bulk_relax_maker_isif3 = DoubleRelaxMaker.from_relax_maker(\n",
     "    TightRelaxMaker(\n",
     "        run_vasp_kwargs={\"handlers\": ()},\n",

tutorials/tutorials.md

@@ -11,6 +11,7 @@ blob_storage
 lobster_workflow
 openmm_tutorial
 phonon_workflow
+grueneisen_workflow
 qha_workflow
 force_fields/phonon_workflow
 ```