diff --git a/README.md b/README.md index de6c83b..d2006f4 100644 --- a/README.md +++ b/README.md @@ -74,6 +74,10 @@ Consider citing that work if you use this package on a publication. KPM Tools is built upon the robust and efficient foundation provided by Kwant. We extend our gratitude to the Kwant authors and contributors for their work in developing a versatile platform for quantum transport simulations. KPM Tools aims to complement Kwant's capabilities in KPM expansions, adhering to the high standards of quality and performance set by the Kwant project. +See the original KPM implementation in Kwant: +https://kwant-project.org/doc/1/tutorial/kpm +https://kwant-project.org/doc/1/reference/kwant.kpm + ### Project Template This project was generated from [@cjolowicz]'s [Hypermodern Python Cookiecutter] template. diff --git a/docs/tutorials/tutorial_tiles.ipynb b/docs/tutorials/tutorial_tiles.ipynb index ad3fba9..dc876fb 100644 --- a/docs/tutorials/tutorial_tiles.ipynb +++ b/docs/tutorials/tutorial_tiles.ipynb @@ -5,7 +5,7 @@ "id": "457fb52c-7f5c-4895-9e1c-de0b3ba559ef", "metadata": {}, "source": [ - "# Tutorila Tiles\n", + "# Tutorial Tiles\n", "\n", "Tiles is a module to compute vectors that respect a certain symmetry, the symmetry of a superlattice.\n", "The only requirement for computations to make sense, is that the system is closed and has periodic boundaries, in which case it constitutes a superlattice.\n", @@ -30,7 +30,7 @@ " tile_random_kvectors, TileKVectors,\n", " momentum_to_ts\n", ")\n", - "from kpm_tools.kpm_generator import SpectralDensityIterator" + "from kpm_tools.kpm_generator import SpectralDensityIterator\n" ] }, { @@ -41,535 +41,16 @@ "outputs": [ { "data": { - "application/javascript": [ - "(function(root) {\n", - " function now() {\n", - " return new Date();\n", - " }\n", - "\n", - " var force = true;\n", - " var py_version = '3.3.1'.replace('rc', '-rc.').replace('.dev', '-dev.');\n", - " var reloading = false;\n", - " var Bokeh = root.Bokeh;\n", - "\n", - " if (typeof (root._bokeh_timeout) === \"undefined\" || force) {\n", - " root._bokeh_timeout = Date.now() + 5000;\n", - " root._bokeh_failed_load = false;\n", - " }\n", - "\n", - " function run_callbacks() {\n", - " try {\n", - " root._bokeh_onload_callbacks.forEach(function(callback) {\n", - " if (callback != null)\n", - " callback();\n", - " });\n", - " } finally {\n", - " delete 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[];\n", - " var nodemap = oldScript.attributes;\n", - " for (var j in nodemap) {\n", - " if (nodemap.hasOwnProperty(j)) {\n", - " attrs.push(nodemap[j])\n", - " }\n", - " }\n", - " attrs.forEach(function(attr) { newScript.setAttribute(attr.name, attr.value) });\n", - " newScript.appendChild(document.createTextNode(oldScript.innerHTML));\n", - " oldScript.parentNode.replaceChild(newScript, oldScript);\n", - " });\n", - " if (JS_MIME_TYPE in output.data) {\n", - " toinsert[nchildren-1].children[1].textContent = output.data[JS_MIME_TYPE];\n", - " }\n", - " output_area._hv_plot_id = id;\n", - " if ((window.Bokeh !== undefined) && (id in Bokeh.index)) {\n", - " window.PyViz.plot_index[id] = Bokeh.index[id];\n", - " } else {\n", - " window.PyViz.plot_index[id] = null;\n", - " }\n", - " } else if (output.metadata[EXEC_MIME_TYPE][\"server_id\"] !== undefined) {\n", - " var bk_div = document.createElement(\"div\");\n", - " bk_div.innerHTML = output.data[HTML_MIME_TYPE];\n", - " var script_attrs = bk_div.children[0].attributes;\n", - " for (var i = 0; i < script_attrs.length; i++) {\n", - " toinsert[toinsert.length - 1].childNodes[1].setAttribute(script_attrs[i].name, script_attrs[i].value);\n", - " }\n", - " // store reference to server id on output_area\n", - " output_area._bokeh_server_id = output.metadata[EXEC_MIME_TYPE][\"server_id\"];\n", - " }\n", - "}\n", - "\n", - "/**\n", - " * Handle when an output is cleared or removed\n", - " */\n", - "function handle_clear_output(event, handle) {\n", - " var id = handle.cell.output_area._hv_plot_id;\n", - " var server_id = handle.cell.output_area._bokeh_server_id;\n", - " if (((id === undefined) || !(id in PyViz.plot_index)) && (server_id !== undefined)) { return; }\n", - " var comm = window.PyViz.comm_manager.get_client_comm(\"hv-extension-comm\", \"hv-extension-comm\", function () {});\n", - " if (server_id !== null) {\n", - " comm.send({event_type: 'server_delete', 'id': server_id});\n", - " return;\n", - " } else if (comm !== null) {\n", - " comm.send({event_type: 'delete', 'id': id});\n", - " }\n", - " delete PyViz.plot_index[id];\n", - " if ((window.Bokeh !== undefined) & (id in window.Bokeh.index)) {\n", - " var doc = window.Bokeh.index[id].model.document\n", - " doc.clear();\n", - " const i = window.Bokeh.documents.indexOf(doc);\n", - " if (i > -1) {\n", - " window.Bokeh.documents.splice(i, 1);\n", - " }\n", - " }\n", - "}\n", - "\n", - "/**\n", - " * Handle kernel restart event\n", - " */\n", - "function handle_kernel_cleanup(event, handle) {\n", - " delete PyViz.comms[\"hv-extension-comm\"];\n", - " window.PyViz.plot_index = {}\n", - "}\n", - "\n", - "/**\n", - " * Handle update_display_data messages\n", - " */\n", - "function handle_update_output(event, handle) {\n", - " handle_clear_output(event, {cell: {output_area: handle.output_area}})\n", - " handle_add_output(event, handle)\n", - "}\n", - "\n", - "function register_renderer(events, OutputArea) {\n", - " function append_mime(data, metadata, element) {\n", - " // create a DOM node to render to\n", - " var toinsert = this.create_output_subarea(\n", - " metadata,\n", - " CLASS_NAME,\n", - " EXEC_MIME_TYPE\n", - " );\n", - " this.keyboard_manager.register_events(toinsert);\n", - " // Render to node\n", - " var props = {data: data, metadata: metadata[EXEC_MIME_TYPE]};\n", - " render(props, toinsert[0]);\n", - " element.append(toinsert);\n", - " return toinsert\n", - " }\n", - "\n", - " events.on('output_added.OutputArea', handle_add_output);\n", - " events.on('output_updated.OutputArea', handle_update_output);\n", - " events.on('clear_output.CodeCell', handle_clear_output);\n", - " events.on('delete.Cell', handle_clear_output);\n", - " events.on('kernel_ready.Kernel', handle_kernel_cleanup);\n", - "\n", - " OutputArea.prototype.register_mime_type(EXEC_MIME_TYPE, append_mime, {\n", - " safe: true,\n", - " index: 0\n", - " });\n", - "}\n", - "\n", - "if (window.Jupyter !== undefined) {\n", - " try {\n", - " var events = require('base/js/events');\n", - " var OutputArea = require('notebook/js/outputarea').OutputArea;\n", - " if (OutputArea.prototype.mime_types().indexOf(EXEC_MIME_TYPE) == -1) {\n", - " register_renderer(events, OutputArea);\n", - " }\n", - " } catch(err) {\n", - " }\n", - "}\n" - ], - "application/vnd.holoviews_load.v0+json": "\nif ((window.PyViz === undefined) || (window.PyViz instanceof HTMLElement)) {\n window.PyViz = {comms: {}, comm_status:{}, kernels:{}, receivers: {}, plot_index: []}\n}\n\n\n function JupyterCommManager() {\n }\n\n JupyterCommManager.prototype.register_target = function(plot_id, comm_id, msg_handler) {\n if (window.comm_manager || ((window.Jupyter !== undefined) && (Jupyter.notebook.kernel != null))) {\n var comm_manager = window.comm_manager || Jupyter.notebook.kernel.comm_manager;\n comm_manager.register_target(comm_id, function(comm) {\n comm.on_msg(msg_handler);\n });\n } else if ((plot_id in window.PyViz.kernels) && (window.PyViz.kernels[plot_id])) {\n window.PyViz.kernels[plot_id].registerCommTarget(comm_id, function(comm) {\n comm.onMsg = msg_handler;\n });\n } else if (typeof google != 'undefined' && google.colab.kernel != null) {\n google.colab.kernel.comms.registerTarget(comm_id, (comm) => {\n var messages = comm.messages[Symbol.asyncIterator]();\n function processIteratorResult(result) {\n var message = result.value;\n console.log(message)\n var content = {data: message.data, comm_id};\n var buffers = []\n for (var buffer of message.buffers || []) {\n buffers.push(new DataView(buffer))\n }\n var metadata = message.metadata || {};\n var msg = {content, buffers, metadata}\n msg_handler(msg);\n return messages.next().then(processIteratorResult);\n }\n return messages.next().then(processIteratorResult);\n })\n }\n }\n\n JupyterCommManager.prototype.get_client_comm = function(plot_id, comm_id, msg_handler) {\n if (comm_id in window.PyViz.comms) {\n return window.PyViz.comms[comm_id];\n } else if (window.comm_manager || ((window.Jupyter !== undefined) && (Jupyter.notebook.kernel != null))) {\n var comm_manager = window.comm_manager || Jupyter.notebook.kernel.comm_manager;\n var comm = comm_manager.new_comm(comm_id, {}, {}, {}, comm_id);\n if (msg_handler) {\n comm.on_msg(msg_handler);\n }\n } else if ((plot_id in window.PyViz.kernels) && (window.PyViz.kernels[plot_id])) {\n var comm = window.PyViz.kernels[plot_id].connectToComm(comm_id);\n comm.open();\n if (msg_handler) {\n comm.onMsg = msg_handler;\n }\n } else if (typeof google != 'undefined' && google.colab.kernel != null) {\n var comm_promise = google.colab.kernel.comms.open(comm_id)\n comm_promise.then((comm) => {\n window.PyViz.comms[comm_id] = comm;\n if (msg_handler) {\n var messages = comm.messages[Symbol.asyncIterator]();\n function processIteratorResult(result) {\n var message = result.value;\n var content = {data: message.data};\n var metadata = message.metadata || {comm_id};\n var msg = {content, metadata}\n msg_handler(msg);\n return messages.next().then(processIteratorResult);\n }\n return messages.next().then(processIteratorResult);\n }\n }) \n var sendClosure = (data, metadata, buffers, disposeOnDone) => {\n return comm_promise.then((comm) => {\n comm.send(data, metadata, buffers, disposeOnDone);\n });\n };\n var comm = {\n send: sendClosure\n };\n }\n window.PyViz.comms[comm_id] = comm;\n return comm;\n }\n window.PyViz.comm_manager = new JupyterCommManager();\n \n\n\nvar JS_MIME_TYPE = 'application/javascript';\nvar HTML_MIME_TYPE = 'text/html';\nvar EXEC_MIME_TYPE = 'application/vnd.holoviews_exec.v0+json';\nvar CLASS_NAME = 'output';\n\n/**\n * Render data to the DOM node\n */\nfunction render(props, node) {\n var div = document.createElement(\"div\");\n var script = document.createElement(\"script\");\n node.appendChild(div);\n node.appendChild(script);\n}\n\n/**\n * Handle when a new output is added\n */\nfunction handle_add_output(event, handle) {\n var output_area = handle.output_area;\n var output = handle.output;\n if ((output.data == undefined) || (!output.data.hasOwnProperty(EXEC_MIME_TYPE))) {\n return\n }\n var id = output.metadata[EXEC_MIME_TYPE][\"id\"];\n var toinsert = output_area.element.find(\".\" + CLASS_NAME.split(' ')[0]);\n if (id !== undefined) {\n var nchildren = toinsert.length;\n var html_node = toinsert[nchildren-1].children[0];\n html_node.innerHTML = output.data[HTML_MIME_TYPE];\n var scripts = [];\n var nodelist = html_node.querySelectorAll(\"script\");\n for (var i in nodelist) {\n if (nodelist.hasOwnProperty(i)) {\n scripts.push(nodelist[i])\n }\n }\n\n scripts.forEach( function (oldScript) {\n var newScript = document.createElement(\"script\");\n var attrs = [];\n var nodemap = oldScript.attributes;\n for (var j in nodemap) {\n if (nodemap.hasOwnProperty(j)) {\n attrs.push(nodemap[j])\n }\n }\n attrs.forEach(function(attr) { newScript.setAttribute(attr.name, attr.value) });\n newScript.appendChild(document.createTextNode(oldScript.innerHTML));\n oldScript.parentNode.replaceChild(newScript, oldScript);\n });\n if (JS_MIME_TYPE in output.data) {\n toinsert[nchildren-1].children[1].textContent = output.data[JS_MIME_TYPE];\n }\n output_area._hv_plot_id = id;\n if ((window.Bokeh !== undefined) && (id in Bokeh.index)) {\n window.PyViz.plot_index[id] = Bokeh.index[id];\n } else {\n window.PyViz.plot_index[id] = null;\n }\n } else if (output.metadata[EXEC_MIME_TYPE][\"server_id\"] !== undefined) {\n var bk_div = document.createElement(\"div\");\n bk_div.innerHTML = output.data[HTML_MIME_TYPE];\n var script_attrs = bk_div.children[0].attributes;\n for (var i = 0; i < script_attrs.length; i++) {\n toinsert[toinsert.length - 1].childNodes[1].setAttribute(script_attrs[i].name, script_attrs[i].value);\n }\n // store reference to server id on output_area\n output_area._bokeh_server_id = output.metadata[EXEC_MIME_TYPE][\"server_id\"];\n }\n}\n\n/**\n * Handle when an output is cleared or removed\n */\nfunction handle_clear_output(event, handle) {\n var id = handle.cell.output_area._hv_plot_id;\n var server_id = handle.cell.output_area._bokeh_server_id;\n if (((id === undefined) || !(id in PyViz.plot_index)) && (server_id !== undefined)) { return; }\n var comm = window.PyViz.comm_manager.get_client_comm(\"hv-extension-comm\", \"hv-extension-comm\", function () {});\n if (server_id !== null) {\n comm.send({event_type: 'server_delete', 'id': server_id});\n return;\n } else if (comm !== null) {\n comm.send({event_type: 'delete', 'id': id});\n }\n delete PyViz.plot_index[id];\n if ((window.Bokeh !== undefined) & (id in window.Bokeh.index)) {\n var doc = window.Bokeh.index[id].model.document\n doc.clear();\n const i = window.Bokeh.documents.indexOf(doc);\n if (i > -1) {\n window.Bokeh.documents.splice(i, 1);\n }\n }\n}\n\n/**\n * Handle kernel restart event\n */\nfunction handle_kernel_cleanup(event, handle) {\n delete PyViz.comms[\"hv-extension-comm\"];\n window.PyViz.plot_index = {}\n}\n\n/**\n * Handle update_display_data messages\n */\nfunction handle_update_output(event, handle) {\n handle_clear_output(event, {cell: {output_area: handle.output_area}})\n handle_add_output(event, handle)\n}\n\nfunction register_renderer(events, OutputArea) {\n function append_mime(data, metadata, element) {\n // create a DOM node to render to\n var toinsert = this.create_output_subarea(\n metadata,\n CLASS_NAME,\n EXEC_MIME_TYPE\n );\n this.keyboard_manager.register_events(toinsert);\n // Render to node\n var props = {data: data, metadata: metadata[EXEC_MIME_TYPE]};\n render(props, toinsert[0]);\n element.append(toinsert);\n return toinsert\n }\n\n events.on('output_added.OutputArea', handle_add_output);\n events.on('output_updated.OutputArea', handle_update_output);\n events.on('clear_output.CodeCell', handle_clear_output);\n events.on('delete.Cell', handle_clear_output);\n events.on('kernel_ready.Kernel', handle_kernel_cleanup);\n\n OutputArea.prototype.register_mime_type(EXEC_MIME_TYPE, append_mime, {\n safe: true,\n index: 0\n });\n}\n\nif (window.Jupyter !== undefined) {\n try {\n var events = require('base/js/events');\n var OutputArea = require('notebook/js/outputarea').OutputArea;\n if (OutputArea.prototype.mime_types().indexOf(EXEC_MIME_TYPE) == -1) {\n register_renderer(events, OutputArea);\n }\n } catch(err) {\n }\n}\n" + "application/javascript": "\nif ((window.PyViz === undefined) || (window.PyViz instanceof HTMLElement)) {\n window.PyViz = {comms: {}, comm_status:{}, kernels:{}, receivers: {}, plot_index: []}\n}\n\n\n function JupyterCommManager() {\n }\n\n JupyterCommManager.prototype.register_target = function(plot_id, comm_id, msg_handler) {\n if (window.comm_manager || ((window.Jupyter !== undefined) && (Jupyter.notebook.kernel != null))) {\n var comm_manager = window.comm_manager || Jupyter.notebook.kernel.comm_manager;\n comm_manager.register_target(comm_id, function(comm) {\n comm.on_msg(msg_handler);\n });\n } else if ((plot_id in window.PyViz.kernels) && (window.PyViz.kernels[plot_id])) {\n window.PyViz.kernels[plot_id].registerCommTarget(comm_id, function(comm) {\n comm.onMsg = msg_handler;\n });\n } else if (typeof google != 'undefined' && google.colab.kernel != null) {\n google.colab.kernel.comms.registerTarget(comm_id, (comm) => {\n var messages = comm.messages[Symbol.asyncIterator]();\n function processIteratorResult(result) {\n var message = result.value;\n console.log(message)\n var content = {data: message.data, comm_id};\n var buffers = []\n for (var buffer of message.buffers || []) {\n buffers.push(new DataView(buffer))\n }\n var metadata = message.metadata || {};\n var msg = {content, buffers, metadata}\n msg_handler(msg);\n return messages.next().then(processIteratorResult);\n }\n return messages.next().then(processIteratorResult);\n })\n }\n }\n\n JupyterCommManager.prototype.get_client_comm = function(plot_id, comm_id, msg_handler) {\n if (comm_id in window.PyViz.comms) {\n return window.PyViz.comms[comm_id];\n } else if (window.comm_manager || ((window.Jupyter !== undefined) && (Jupyter.notebook.kernel != null))) {\n var comm_manager = window.comm_manager || Jupyter.notebook.kernel.comm_manager;\n var comm = comm_manager.new_comm(comm_id, {}, {}, {}, comm_id);\n if (msg_handler) {\n comm.on_msg(msg_handler);\n }\n } else if ((plot_id in window.PyViz.kernels) && (window.PyViz.kernels[plot_id])) {\n var comm = window.PyViz.kernels[plot_id].connectToComm(comm_id);\n comm.open();\n if (msg_handler) {\n comm.onMsg = msg_handler;\n }\n } else if (typeof google != 'undefined' && google.colab.kernel != null) {\n var comm_promise = google.colab.kernel.comms.open(comm_id)\n comm_promise.then((comm) => {\n window.PyViz.comms[comm_id] = comm;\n if (msg_handler) {\n var messages = comm.messages[Symbol.asyncIterator]();\n function processIteratorResult(result) {\n var message = result.value;\n var content = {data: message.data};\n var metadata = message.metadata || {comm_id};\n var msg = {content, metadata}\n msg_handler(msg);\n return messages.next().then(processIteratorResult);\n }\n return messages.next().then(processIteratorResult);\n }\n }) \n var sendClosure = (data, metadata, buffers, disposeOnDone) => {\n return comm_promise.then((comm) => {\n comm.send(data, metadata, buffers, disposeOnDone);\n });\n };\n var comm = {\n send: sendClosure\n };\n }\n window.PyViz.comms[comm_id] = comm;\n return comm;\n }\n window.PyViz.comm_manager = new JupyterCommManager();\n \n\n\nvar JS_MIME_TYPE = 'application/javascript';\nvar HTML_MIME_TYPE = 'text/html';\nvar EXEC_MIME_TYPE = 'application/vnd.holoviews_exec.v0+json';\nvar CLASS_NAME = 'output';\n\n/**\n * Render data to the DOM node\n */\nfunction render(props, node) {\n var div = document.createElement(\"div\");\n var script = document.createElement(\"script\");\n node.appendChild(div);\n node.appendChild(script);\n}\n\n/**\n * Handle when a new output is added\n */\nfunction handle_add_output(event, handle) {\n var output_area = handle.output_area;\n var output = handle.output;\n if ((output.data == undefined) || (!output.data.hasOwnProperty(EXEC_MIME_TYPE))) {\n return\n }\n var id = output.metadata[EXEC_MIME_TYPE][\"id\"];\n var toinsert = output_area.element.find(\".\" + CLASS_NAME.split(' ')[0]);\n if (id !== undefined) {\n var nchildren = toinsert.length;\n var html_node = toinsert[nchildren-1].children[0];\n html_node.innerHTML = output.data[HTML_MIME_TYPE];\n var scripts = [];\n var nodelist = html_node.querySelectorAll(\"script\");\n for (var i in nodelist) {\n if (nodelist.hasOwnProperty(i)) {\n scripts.push(nodelist[i])\n }\n }\n\n scripts.forEach( function (oldScript) {\n var newScript = document.createElement(\"script\");\n var attrs = [];\n var nodemap = oldScript.attributes;\n for (var j in nodemap) {\n if (nodemap.hasOwnProperty(j)) {\n attrs.push(nodemap[j])\n }\n }\n attrs.forEach(function(attr) { newScript.setAttribute(attr.name, attr.value) });\n newScript.appendChild(document.createTextNode(oldScript.innerHTML));\n oldScript.parentNode.replaceChild(newScript, oldScript);\n });\n if (JS_MIME_TYPE in output.data) {\n toinsert[nchildren-1].children[1].textContent = output.data[JS_MIME_TYPE];\n }\n output_area._hv_plot_id = id;\n if ((window.Bokeh !== undefined) && (id in Bokeh.index)) {\n window.PyViz.plot_index[id] = Bokeh.index[id];\n } else {\n window.PyViz.plot_index[id] = null;\n }\n } else if (output.metadata[EXEC_MIME_TYPE][\"server_id\"] !== undefined) {\n var bk_div = document.createElement(\"div\");\n bk_div.innerHTML = output.data[HTML_MIME_TYPE];\n var script_attrs = bk_div.children[0].attributes;\n for (var i = 0; i < script_attrs.length; i++) {\n toinsert[toinsert.length - 1].childNodes[1].setAttribute(script_attrs[i].name, script_attrs[i].value);\n }\n // store reference to server id on output_area\n output_area._bokeh_server_id = output.metadata[EXEC_MIME_TYPE][\"server_id\"];\n }\n}\n\n/**\n * Handle when an output is cleared or removed\n */\nfunction handle_clear_output(event, handle) {\n var id = handle.cell.output_area._hv_plot_id;\n var server_id = handle.cell.output_area._bokeh_server_id;\n if (((id === undefined) || !(id in PyViz.plot_index)) && (server_id !== undefined)) { return; }\n var comm = window.PyViz.comm_manager.get_client_comm(\"hv-extension-comm\", \"hv-extension-comm\", function () {});\n if (server_id !== null) {\n comm.send({event_type: 'server_delete', 'id': server_id});\n return;\n } else if (comm !== null) {\n comm.send({event_type: 'delete', 'id': id});\n }\n delete PyViz.plot_index[id];\n if ((window.Bokeh !== undefined) & (id in window.Bokeh.index)) {\n var doc = window.Bokeh.index[id].model.document\n doc.clear();\n const i = window.Bokeh.documents.indexOf(doc);\n if (i > -1) {\n window.Bokeh.documents.splice(i, 1);\n }\n }\n}\n\n/**\n * Handle kernel restart event\n */\nfunction handle_kernel_cleanup(event, handle) {\n delete PyViz.comms[\"hv-extension-comm\"];\n window.PyViz.plot_index = {}\n}\n\n/**\n * Handle update_display_data messages\n */\nfunction handle_update_output(event, handle) {\n handle_clear_output(event, {cell: {output_area: handle.output_area}})\n handle_add_output(event, handle)\n}\n\nfunction register_renderer(events, OutputArea) {\n function append_mime(data, metadata, element) {\n // create a DOM node to render to\n var toinsert = this.create_output_subarea(\n metadata,\n CLASS_NAME,\n EXEC_MIME_TYPE\n );\n this.keyboard_manager.register_events(toinsert);\n // Render to node\n var props = {data: data, metadata: metadata[EXEC_MIME_TYPE]};\n render(props, toinsert[0]);\n element.append(toinsert);\n return toinsert\n }\n\n events.on('output_added.OutputArea', handle_add_output);\n events.on('output_updated.OutputArea', handle_update_output);\n events.on('clear_output.CodeCell', handle_clear_output);\n events.on('delete.Cell', handle_clear_output);\n events.on('kernel_ready.Kernel', handle_kernel_cleanup);\n\n OutputArea.prototype.register_mime_type(EXEC_MIME_TYPE, append_mime, {\n safe: true,\n index: 0\n });\n}\n\nif (window.Jupyter !== undefined) {\n try {\n var events = require('base/js/events');\n var OutputArea = require('notebook/js/outputarea').OutputArea;\n if (OutputArea.prototype.mime_types().indexOf(EXEC_MIME_TYPE) == -1) {\n register_renderer(events, OutputArea);\n }\n } catch(err) {\n }\n}\n", + "application/vnd.holoviews_load.v0+json": "" }, "metadata": {}, "output_type": "display_data" @@ -820,7 +301,7 @@ "source": [ "import matplotlib.pyplot, matplotlib.backends\n", "import holoviews as hv\n", - "hv.extension()" + "hv.extension()\n" ] }, { @@ -830,7 +311,7 @@ "metadata": {}, "outputs": [], "source": [ - "import numpy as np" + "import numpy as np\n" ] }, { @@ -842,7 +323,7 @@ "source": [ "import kwant\n", "from concurrent.futures import ProcessPoolExecutor\n", - "from kpm_tools.kpm_generator import _BaseKPM" + "from kpm_tools.kpm_generator import _BaseKPM\n" ] }, { @@ -860,7 +341,7 @@ "metadata": {}, "outputs": [], "source": [ - "honeycomb = kwant.lattice.honeycomb(norbs=1, name=[\"a\", \"b\"])" + "honeycomb = kwant.lattice.honeycomb(norbs=1, name=[\"a\", \"b\"])\n" ] }, { @@ -885,12 +366,12 @@ " period_2 = honeycomb.prim_vecs.T @ tags_2\n", " symm = kwant.TranslationalSymmetry(period_1, period_2)\n", " builder = kwant.Builder(symmetry=symm)\n", - " \n", + "\n", " builder[honeycomb.shape(lambda s: True, (0, 0))] = disorder_onsite\n", - " \n", + "\n", " builder[honeycomb.neighbors()] = 1\n", - " \n", - " return kwant.wraparound.wraparound(builder).finalized()" + "\n", + " return kwant.wraparound.wraparound(builder).finalized()\n" ] }, { @@ -900,7 +381,7 @@ "metadata": {}, "outputs": [], "source": [ - "fsyst = make_superlattice(tags_1=[3, 0], tags_2=[0, 1], disorder=0.5)" + "fsyst = make_superlattice(tags_1=[3, 0], tags_2=[0, 1], disorder=0.5)\n" ] }, { @@ -921,7 +402,7 @@ } ], "source": [ - "kwant.plot(fsyst);" + "kwant.plot(fsyst);\n" ] }, { @@ -931,7 +412,7 @@ "metadata": {}, "outputs": [], "source": [ - "params = {'k_x': 0, 'k_y': 0, 'disorder': 0}" + "params = {'k_x': 0, 'k_y': 0, 'disorder': 0}\n" ] }, { @@ -956,22 +437,22 @@ " \"num_vectors\": 8,\n", " \"rng\": 0,\n", " }\n", - " \n", + "\n", " bounds = _BaseKPM(\n", " fsyst,\n", " params=params,\n", " num_vectors=1,\n", " num_moments=2,\n", " ).bounds\n", - " \n", + "\n", " kpm_params[\"bounds\"] = bounds\n", - " \n", - " \n", + "\n", + "\n", " energies = (\n", " kwant.kpm._chebyshev_nodes(2 * num_moments) * (bounds[1] - bounds[0]) / 2\n", " + (bounds[1] + bounds[0]) / 2\n", " )\n", - " return kpm_params, energies" + " return kpm_params, energies\n" ] }, { @@ -991,7 +472,7 @@ "source": [ "def make_path_segment(p1, p2, num_k):\n", " return (\n", - " p1[np.newaxis] \n", + " p1[np.newaxis]\n", " + np.linspace(0, 1, num_k, endpoint=False)[:, np.newaxis]\n", " * (p2 - p1)[np.newaxis]\n", " )\n", @@ -1002,7 +483,7 @@ " p1 = points[idx]\n", " p2 = points[idx+1]\n", " k_path = np.concatenate([k_path, make_path_segment(p1, p2, num_k)], axis=0)\n", - " return k_path" + " return k_path\n" ] }, { @@ -1015,7 +496,7 @@ "p_gamma = np.array([0 ,0])\n", "p_m = np.array([1/2,-1/(2*np.sqrt(3))])\n", "p_K = np.array([2/3, 0])\n", - "p_Kp = p_K + 2 * (p_m - p_K)" + "p_Kp = p_K + 2 * (p_m - p_K)\n" ] }, { @@ -1040,7 +521,7 @@ " (k_path_lengths[num_k * 2], '$K$'),\n", " (k_path_lengths[num_k * 3], '$\\Gamma$'),\n", " (k_path_lengths[num_k * 4-1], \"$K'$\"),\n", - " ]" + " ]\n" ] }, { @@ -1056,15 +537,15 @@ " # update boundary conditions to be periodic like `k`\n", " k_in_ts = momentum_to_ts(k, fsyst._wrapped_symmetry)\n", " params.update(dict(zip(fsyst._momentum_names, k_in_ts)))\n", - " \n", + "\n", " spectrum_k = SpectralDensityIterator(\n", " fsyst,\n", " params=params,\n", " vector_factory=kvecs,\n", " **kpm_params,\n", " )\n", - " \n", - " return spectrum_k.densities" + "\n", + " return spectrum_k.densities\n" ] }, { @@ -1085,7 +566,7 @@ "metadata": {}, "outputs": [], "source": [ - "params[\"disorder\"] = 0" + "params[\"disorder\"] = 0\n" ] }, { @@ -1095,7 +576,7 @@ "metadata": {}, "outputs": [], "source": [ - "kpm_params, energies = init_kpm_params(fsyst, params)" + "kpm_params, energies = init_kpm_params(fsyst, params)\n" ] }, { @@ -1105,7 +586,7 @@ "metadata": {}, "outputs": [], "source": [ - "tile = kwant.TranslationalSymmetry(*honeycomb.prim_vecs)" + "tile = kwant.TranslationalSymmetry(*honeycomb.prim_vecs)\n" ] }, { @@ -1130,7 +611,7 @@ " density_in_k,\n", " k_path,\n", " [tile] * num_k_full,\n", - " )))" + " )))\n" ] }, { @@ -1155,7 +636,7 @@ " density_in_k,\n", " k_path,\n", " [fsyst._wrapped_symmetry] * num_k_full,\n", - " )))" + " )))\n" ] }, { @@ -1205,7 +686,7 @@ " title=\"k-path folded\",\n", ")\n", "\n", - "plot_kpath_folded + plot_kpath_unfolded" + "plot_kpath_folded + plot_kpath_unfolded\n" ] }, { @@ -1226,7 +707,7 @@ "metadata": {}, "outputs": [], "source": [ - "params[\"disorder\"] = 1" + "params[\"disorder\"] = 1\n" ] }, { @@ -1236,7 +717,7 @@ "metadata": {}, "outputs": [], "source": [ - "kpm_params, energies = init_kpm_params(fsyst, params)" + "kpm_params, energies = init_kpm_params(fsyst, params)\n" ] }, { @@ -1246,7 +727,7 @@ "metadata": {}, "outputs": [], "source": [ - "tile = kwant.TranslationalSymmetry(*honeycomb.prim_vecs)" + "tile = kwant.TranslationalSymmetry(*honeycomb.prim_vecs)\n" ] }, { @@ -1271,7 +752,7 @@ " density_in_k,\n", " k_path,\n", " [tile] * num_k_full,\n", - " )))" + " )))\n" ] }, { @@ -1296,7 +777,7 @@ " density_in_k,\n", " k_path,\n", " [fsyst._wrapped_symmetry] * num_k_full,\n", - " )))" + " )))\n" ] }, { @@ -1346,7 +827,7 @@ " title=\"k-path folded\",\n", ")\n", "\n", - "plot_kpath_folded + plot_kpath_unfolded" + "plot_kpath_folded + plot_kpath_unfolded\n" ] } ],