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chore: a typo
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VsevolodX committed Nov 9, 2024
1 parent 7f4d7eb commit f208f5d
Showing 1 changed file with 13 additions and 10 deletions.
23 changes: 13 additions & 10 deletions other/materials_designer/create_monolayer.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -35,11 +35,11 @@
"outputs": [],
"source": [
"XY_SUPERCELL_MATRIX = [\n",
" [3, 0], \n",
" [0, 3], \n",
"] \n",
" [3, 0],\n",
" [0, 3],\n",
"]\n",
"\n",
"VACUUM = 10.0 # Angstrom"
"VACUUM = 10.0 # Angstrom"
],
"metadata": {
"collapsed": false
Expand All @@ -66,9 +66,10 @@
"\n",
"if sys.platform == \"emscripten\":\n",
" import micropip\n",
" \n",
"\n",
" await micropip.install('mat3ra-api-examples', deps=False)\n",
" from utils.jupyterlite import install_packages\n",
"\n",
" await install_packages(\"\", \"../../config.yml\")"
],
"metadata": {
Expand All @@ -94,7 +95,7 @@
"from utils.jupyterlite import get_materials\n",
"\n",
"materials = get_materials(globals())\n",
"material = materials[20]"
"material = materials[0]"
],
"metadata": {
"collapsed": false
Expand All @@ -117,8 +118,9 @@
"outputs": [],
"source": [
"from utils.visualize import visualize_materials as visualize\n",
"visualize(material, repetitions=[3,3,1], rotation=\"0x\")\n",
"visualize(material, repetitions=[3,3,1], rotation=\"-90x\")"
"\n",
"visualize(material, repetitions=[3, 3, 1], rotation=\"0x\")\n",
"visualize(material, repetitions=[3, 3, 1], rotation=\"-90x\")"
],
"metadata": {
"collapsed": false
Expand Down Expand Up @@ -155,9 +157,9 @@
"\n",
"slab_configuration = SlabConfiguration(\n",
" bulk=material,\n",
" miller_indices=(0,0,1),\n",
" miller_indices=(0, 0, 1),\n",
" thickness=1,\n",
" vacuum=VACUUM, \n",
" vacuum=VACUUM,\n",
" xy_supercell_matrix=XY_SUPERCELL_MATRIX,\n",
" use_orthogonal_z=True,\n",
" use_conventional_cell=True,\n",
Expand Down Expand Up @@ -238,6 +240,7 @@
"outputs": [],
"source": [
"from utils.jupyterlite import set_materials\n",
"\n",
"set_materials(monolayer)"
],
"metadata": {
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