update: new config params

Author: VsevolodX

other/materials_designer/create_twisted_interface_with_commensurate_lattices.ipynb

@@ -51,7 +51,7 @@
    "outputs": [],
    "source": [
     "# Material selection and basic parameters\n",
-    "FILM_INDEX = 0 # Index in the list of materials, to access as materials[FILM_INDEX]\n",
+    "FILM_INDEX = 0# Index in the list of materials, to access as materials[FILM_INDEX]\n",
     "SUBSTRATE_INDEX = None  # Can be None to use same material as film\n",
     "\n",
     "# Twisted interface parameters\n",
@@ -61,7 +61,7 @@
     "\n",
     "# Search algorithm parameters\n",
     "MAX_REPETITION = 6  # Maximum supercell matrix element value\n",
-    "ANGLE_TOLERANCE = 0.5  # in degrees\n",
+    "ANGLE_TOLERANCE = 2.5  # in degrees\n",
     "RETURN_FIRST_MATCH = True  # If True, returns first solution within tolerance\n",
     "\n",
     "# Visualization parameters\n",
@@ -187,7 +187,7 @@
     ")\n",
     "\n",
     "params = CommensurateLatticeTwistedInterfaceBuilderParameters(\n",
-    "    max_repetition_int=MAX_REPETITION,\n",
+    "    max_supercell_matrix_int=MAX_REPETITION,\n",
     "    angle_tolerance=ANGLE_TOLERANCE,\n",
     "    return_first_match=RETURN_FIRST_MATCH\n",
     ")\n",
@@ -260,8 +260,7 @@
     "visualize_materials(selected_interface, repetitions=[1, 1, 1], rotation=\"-90x\")"
    ],
    "metadata": {
-    "collapsed": false,
-    "is_executing": true
+    "collapsed": false
    },
    "id": "8fa34c8952f76602",
    "execution_count": null
@@ -285,8 +284,7 @@
     "set_materials(selected_interface)"
    ],
    "metadata": {
-    "collapsed": false,
-    "is_executing": true
+    "collapsed": false
    },
    "id": "28bebacd2e299c2c",
    "execution_count": null