update the bz visualizer notebook

osscar-org · Jun 6, 2024 · a0b7533 · a0b7533
1 parent 9fbff87
commit a0b7533
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Showing 2 changed files with 6 additions and 92 deletions.
diff --git a/widgets/.ipynb_checkpoints/widget_bzvisualizer-checkpoint.ipynb b/widgets/.ipynb_checkpoints/widget_bzvisualizer-checkpoint.ipynb
@@ -29,9 +29,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from widget_bzvisualizer import BZVisualizer\n",
-    "import numpy as np\n",
-    "from ase.dft.kpoints import *"
+    "from widget_bzvisualizer import BZVisualizer"
    ]
   },
   {
@@ -42,8 +40,8 @@
     "## 2. Initialize the parameters for the widget\n",
     "\n",
     "* cell: the cell vectors a, b, c\n",
-    "* positions: the coordinates of the atoms\n",
-    "* elements: the elements of the atoms in an array"
+    "* rel_coods: the coordinates of the atoms in unit vectors\n",
+    "* atom_numbers: element numbers of the atoms"
    ]
   },
   {
@@ -76,47 +74,6 @@
     "display(bz)"
    ]
   },
-  {
-   "cell_type": "markdown",
-   "id": "2bcdc82d-4f4a-4a68-bfac-fa2ca5c553c9",
-   "metadata": {},
-   "source": [
-    "```{image} ./images/widget_bzvisualizer.png\n",
-    ":alt: image periodictable\n",
-    ":class: bg-primary mb-1\n",
-    ":width: 500px\n",
-    ":align: center\n",
-    "```"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "fa2d7943-3705-4d56-8e06-e75c3cc1776f",
-   "metadata": {},
-   "source": [
-    "### One can also change the kpoints coordinates in the widget"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "veterinary-objective",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "bz.kpts = (monkhorst_pack((8, 8, 8))*2*np.pi).tolist()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "stretch-animal",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "bz.kpts"
-   ]
-  },
   {
    "cell_type": "code",
    "execution_count": null,

diff --git a/widgets/widget_bzvisualizer.ipynb b/widgets/widget_bzvisualizer.ipynb
@@ -29,9 +29,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from widget_bzvisualizer import BZVisualizer\n",
-    "import numpy as np\n",
-    "from ase.dft.kpoints import *"
+    "from widget_bzvisualizer import BZVisualizer"
    ]
   },
   {
@@ -42,8 +40,8 @@
     "## 2. Initialize the parameters for the widget\n",
     "\n",
     "* cell: the cell vectors a, b, c\n",
-    "* positions: the coordinates of the atoms\n",
-    "* elements: the elements of the atoms in an array"
+    "* rel_coods: the coordinates of the atoms in unit vectors\n",
+    "* atom_numbers: element numbers of the atoms"
    ]
   },
   {
@@ -76,47 +74,6 @@
     "display(bz)"
    ]
   },
-  {
-   "cell_type": "markdown",
-   "id": "2bcdc82d-4f4a-4a68-bfac-fa2ca5c553c9",
-   "metadata": {},
-   "source": [
-    "```{image} ./images/widget_bzvisualizer.png\n",
-    ":alt: image periodictable\n",
-    ":class: bg-primary mb-1\n",
-    ":width: 500px\n",
-    ":align: center\n",
-    "```"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "fa2d7943-3705-4d56-8e06-e75c3cc1776f",
-   "metadata": {},
-   "source": [
-    "### One can also change the kpoints coordinates in the widget"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "veterinary-objective",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "bz.kpts = (monkhorst_pack((8, 8, 8))*2*np.pi).tolist()"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "stretch-animal",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "bz.kpts"
-   ]
-  },
   {
    "cell_type": "code",
    "execution_count": null,