From f22f9c978e67612d88bd6c287c73b56b1e2d814d Mon Sep 17 00:00:00 2001 From: dou-du Date: Thu, 6 Jun 2024 03:24:12 +0000 Subject: [PATCH] deploy: 1af81537a2be0afe104b7234241546ac4f7d306c --- _sources/widgets/widget_bandsplot.ipynb | 30 ++--- _sources/widgets/widget_periodictable.ipynb | 137 +++----------------- notebooks.html | 2 +- searchindex.js | 2 +- tutorial/osscar_widgets.html | 6 +- tutorial/trigonometric_functions.html | 6 +- widgets/osscar_widgets.html | 6 +- widgets/widget_bandsplot.html | 9 +- widgets/widget_periodictable.html | 14 +- 9 files changed, 49 insertions(+), 163 deletions(-) diff --git a/_sources/widgets/widget_bandsplot.ipynb b/_sources/widgets/widget_bandsplot.ipynb index 4d05967..e251972 100644 --- a/_sources/widgets/widget_bandsplot.ipynb +++ b/_sources/widgets/widget_bandsplot.ipynb @@ -81,7 +81,7 @@ }, { "cell_type": "code", - "execution_count": 2, + "execution_count": null, "metadata": { "tags": [] }, @@ -94,7 +94,7 @@ }, { "cell_type": "code", - "execution_count": 3, + "execution_count": null, "metadata": { "tags": [] }, @@ -112,28 +112,13 @@ }, { "cell_type": "code", - "execution_count": 4, + "execution_count": null, "metadata": { "tags": [] }, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "b88eb5973a3f44f1886b173bde431f1d", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "BandsPlotWidget(bands=[{'label': '', 'path': [['GAMMA', 'X'], ['X', 'U'], ['K', 'GAMMA'], ['GAMMA', 'L'], ['L'…" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ - "w1 = BandsPlotWidget(\n", + "widget = BandsPlotWidget(\n", " bands = [si_bands],\n", " dos = si_dos,\n", " energy_range = [-8.0, 8.0],\n", @@ -142,7 +127,8 @@ " \"showLegend\": True,\n", " }\n", ")\n", - "display(w1)" + "\n", + "display(widget)" ] }, { @@ -175,7 +161,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.12" + "version": "3.11.5" }, "voila": { "authors": "Dou Du and Giovanni Pizzi" diff --git a/_sources/widgets/widget_periodictable.ipynb b/_sources/widgets/widget_periodictable.ipynb index acf09ee..6e5a4f2 100644 --- a/_sources/widgets/widget_periodictable.ipynb +++ b/_sources/widgets/widget_periodictable.ipynb @@ -47,7 +47,7 @@ }, { "cell_type": "code", - "execution_count": 3, + "execution_count": null, "metadata": {}, "outputs": [], "source": [ @@ -71,24 +71,9 @@ }, { "cell_type": "code", - "execution_count": 4, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "c59bf12be17a454c89589d7b154857dc", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "PTableWidget(allElements=['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', '…" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "widget = PTableWidget(states = 3, selected_elements = {\"C\": 0, \"Si\": 1, \"Ge\": 2}, \n", " selected_colors = ['red', 'green', 'blue'], \n", @@ -111,7 +96,7 @@ }, { "cell_type": "code", - "execution_count": 5, + "execution_count": null, "metadata": {}, "outputs": [], "source": [ @@ -128,7 +113,7 @@ }, { "cell_type": "code", - "execution_count": 6, + "execution_count": null, "metadata": {}, "outputs": [], "source": [ @@ -144,20 +129,9 @@ }, { "cell_type": "code", - "execution_count": 7, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "['La', 'Nd']" - ] - }, - "execution_count": 7, - "metadata": {}, - "output_type": "execute_result" - } - ], + "outputs": [], "source": [ "widget.get_elements_by_state(0)" ] @@ -178,24 +152,9 @@ }, { "cell_type": "code", - "execution_count": 8, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "f658caea21644cbba8d8c05a099079d5", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "VBox(children=(Button(button_style='success', description='Get the currently selected values', layout=Layout(w…" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "output = widgets.Output()\n", "\n", @@ -225,24 +184,9 @@ }, { "cell_type": "code", - "execution_count": 9, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "1b169901f3fd42b59182d7772e0f0384", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "Checkbox(value=False, description='Disable oxygen')" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "toggle_disabled = widgets.Checkbox(\n", " value=\"O\" in widget.disabled_elements,\n", @@ -277,24 +221,9 @@ }, { "cell_type": "code", - "execution_count": 10, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "fc3d79d12d76454a8250a602de665f81", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "Checkbox(value=False, description='Freeze periodic table:')" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "toggle_freeze = widgets.Checkbox(\n", " value= False,\n", @@ -321,24 +250,9 @@ }, { "cell_type": "code", - "execution_count": 11, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "f29cb7d4e8fc49ed9aefc9e1ae8761d6", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "Button(button_style='success', description='Select only Li and H (from python)', layout=Layout(width='300px'),…" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "def on_set_from_python(event):\n", " # NOTE! If you put an element which does not exist, it will stay forever in the list, but it's ignored\n", @@ -364,24 +278,9 @@ }, { "cell_type": "code", - "execution_count": 12, + "execution_count": null, "metadata": {}, - "outputs": [ - { - "data": { - "application/vnd.jupyter.widget-view+json": { - "model_id": "b61605d0b08345f19f8344d3761b9677", - "version_major": 2, - "version_minor": 0 - }, - "text/plain": [ - "Button(button_style='success', description='Make noble gases bold', layout=Layout(width='300px'), style=Button…" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], + "outputs": [], "source": [ "def get_noble_gases_state():\n", " label_deactivate = \"Make noble gases bold\"\n", @@ -444,7 +343,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.9.7" + "version": "3.11.5" }, "voila": { "authors": "Dou Du, Casper Welzel Andersen and Giovanni Pizzi" diff --git a/notebooks.html b/notebooks.html index 06b0ab1..b2b8440 100644 --- a/notebooks.html +++ b/notebooks.html @@ -386,7 +386,7 @@

Code blocks and outputs
-
<contextlib.ExitStack at 0x7f35f8fb9610>
+
<contextlib.ExitStack at 0x7f4e342a9670>
diff --git a/searchindex.js b/searchindex.js index 17104f2..a0bd0b0 100644 --- a/searchindex.js +++ b/searchindex.js @@ -1 +1 @@ -Search.setIndex({"docnames": ["README", "about/index", "about/roadmap", "about/team", "about/the_project", "code/contributing", "code/index", "code/sample_notebook", "courses/band_theory", "courses/index", "courses/lattice_vibration", "courses/materials_science", "courses/molecular_dynamics", "courses/quantum_mechanics", "courses/statistical_mechanics", "extensions/index", "extensions/jupyterlab_hide_code", "extensions/mol_visualizer", "extensions/molecular_rendering", "index", "intro/get_started", "markdown", "notebooks", "tutorial/index", "tutorial/jupyterlab", "tutorial/osscar_widgets", "tutorial/tools", "tutorial/trigonometric_functions", "tutorial/tutorials", "tutorial/voila", "tutorial/widgets", "widgets/index", "widgets/molecular_orbital", "widgets/molecular_rendering", "widgets/osscar_widgets", "widgets/usage_jsmol", "widgets/widget_bandsplot", "widgets/widget_bzvisualizer", "widgets/widget_code_input", "widgets/widget_jsmol", "widgets/widget_periodictable"], "filenames": ["README.md", "about/index.rst", "about/roadmap.rst", "about/team.rst", "about/the_project.rst", "code/contributing.rst", "code/index.rst", "code/sample_notebook.ipynb", "courses/band_theory.md", "courses/index.rst", "courses/lattice_vibration.md", "courses/materials_science.md", "courses/molecular_dynamics.md", "courses/quantum_mechanics.md", "courses/statistical_mechanics.md", "extensions/index.rst", "extensions/jupyterlab_hide_code.md", "extensions/mol_visualizer.md", "extensions/molecular_rendering.md", "index.rst", "intro/get_started.md", "markdown.md", "notebooks.ipynb", "tutorial/index.rst", "tutorial/jupyterlab.md", "tutorial/osscar_widgets.ipynb", "tutorial/tools.rst", "tutorial/trigonometric_functions.ipynb", "tutorial/tutorials.rst", "tutorial/voila.ipynb", "tutorial/widgets.md", "widgets/index.rst", "widgets/molecular_orbital.md", "widgets/molecular_rendering.md", "widgets/osscar_widgets.ipynb", "widgets/usage_jsmol.md", "widgets/widget_bandsplot.ipynb", "widgets/widget_bzvisualizer.ipynb", "widgets/widget_code_input.md", "widgets/widget_jsmol.md", "widgets/widget_periodictable.ipynb"], "titles": ["OSSCAR", "About OSSCAR", "Roadmap", "OSSCAR Team", "The Project", "How to contribute", "OSSCAR source and contributing", "Notebook Title", "Band Theory of Crystals", "Course Applications", "Molecular and Lattice Vibration", "Materials Science", "Molecular Dynamics", "Quantum Mechanics", "Statistical Mechanics", "JupyterLab Extensions", "jupyterlab-hide-code: A JupyterLab Extension to Run and Hide Source Code", "Molecular orbital visualizer: JupyterLab Extension to Visualize Molecular Orbitals and Structure", "Molecular Rendering", "Homepage", "Welcome to your Jupyter Book", "Markdown Files", "Content with notebooks", "Tutorials for Developers", "JupyterLab", "A simple web application with nglview and periodic table widget", "OSSCAR Jupyter widgets, JupyterLab extensions and other tools", "Interactive trigonometric functions", "Tutorials", "Using Voila to convert Jupyter notebooks into web application", "Use Widgets", "Jupyter Widgets", "Molecular Rendering: A collection of tools to render high quality molecular images and videos using POVRAY. 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"sphinxcontrib.bibtex": 9, "sphinx": 56}}) \ No newline at end of file diff --git a/tutorial/osscar_widgets.html b/tutorial/osscar_widgets.html index dc3eec5..63774bf 100644 --- a/tutorial/osscar_widgets.html +++ b/tutorial/osscar_widgets.html @@ -62,7 +62,7 @@ const thebe_selector_output = ".output, .cell_output" - + @@ -375,7 +375,7 @@

1. Import packages -

+
@@ -467,7 +467,7 @@

6. Display the widgets
-
+

diff --git a/tutorial/trigonometric_functions.html b/tutorial/trigonometric_functions.html index fb5cb1d..c03a2dd 100644 --- a/tutorial/trigonometric_functions.html +++ b/tutorial/trigonometric_functions.html @@ -62,7 +62,7 @@ const thebe_selector_output = ".output, .cell_output" - + @@ -457,7 +457,7 @@

4. Initalize the figure - +
@@ -519,7 +519,7 @@

6. Display the widgets -../_images/b21b3ac2144487a8d0038a0cb5d40c51749c37d7fbcd04775b993377eb83b7ca.png +../_images/b21b3ac2144487a8d0038a0cb5d40c51749c37d7fbcd04775b993377eb83b7ca.png

(Note: the figure and widgets above are not “active” on the website, but would be fully interactive and dynamic if you run the code in Jupyter.)

diff --git a/widgets/osscar_widgets.html b/widgets/osscar_widgets.html index 774d18d..94a204d 100644 --- a/widgets/osscar_widgets.html +++ b/widgets/osscar_widgets.html @@ -62,7 +62,7 @@ const thebe_selector_output = ".output, .cell_output" - + @@ -375,7 +375,7 @@

1. Import packages - +

@@ -467,7 +467,7 @@

6. Display the widgets
-
+

diff --git a/widgets/widget_bandsplot.html b/widgets/widget_bandsplot.html index 6761cb4..0a1b3d7 100644 --- a/widgets/widget_bandsplot.html +++ b/widgets/widget_bandsplot.html @@ -62,7 +62,7 @@ const thebe_selector_output = ".output, .cell_output" - + @@ -432,7 +432,7 @@

Plot both bandstructure and DOS
-
w1 = BandsPlotWidget(
+
widget = BandsPlotWidget(
     bands = [si_bands],
     dos = si_dos,
     energy_range = [-8.0, 8.0],
@@ -441,12 +441,13 @@ 
Plot both bandstructure and DOS"showLegend": True,
     }
 )
-display(w1)
+
+display(widget)
-
+
image bandstructure diff --git a/widgets/widget_periodictable.html b/widgets/widget_periodictable.html index bfd6c93..2a7d1eb 100644 --- a/widgets/widget_periodictable.html +++ b/widgets/widget_periodictable.html @@ -62,7 +62,7 @@ const thebe_selector_output = ".output, .cell_output" - + @@ -410,7 +410,7 @@

Initialize and visualize the element grid - +
@@ -474,7 +474,7 @@

Get the selected values in python
-
+

@@ -507,7 +507,7 @@

Play with enabling/disabling some elements - +

@@ -530,7 +530,7 @@

Freeze (disable clicking events) the whole periodic table
-
+

@@ -553,7 +553,7 @@

Set the selected values from python
-
+

@@ -607,7 +607,7 @@

Change the displayed string for some elements - +