wip

Author: GeigerJ2

.bak/pwd-recursive-while/README.md

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+# Python Workflow Definition - Recursive While
+[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/jan-janssen/pwd-recursive-while/HEAD)

.bak/pwd-recursive-while/aiidaworkgraph.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "0",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from aiida_workgraph import task\n",
+    "from aiida import load_profile"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "1",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "load_profile()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "@task\n",
+    "def add(x, y):\n",
+    "    return x + y"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "3",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "@task.graph\n",
+    "def WhileLoop(n, m):\n",
+    "    if m >= n:\n",
+    "        return m\n",
+    "    m = add(x=m, y=1).result\n",
+    "    return WhileLoop(n=n, m=m)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "wg = WhileLoop.build(n=4, m=0)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "5",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "wg.run()"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.12.12"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}

.bak/pwd-recursive-while/environment.yml

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+channels:
+  - conda-forge
+dependencies:
+  - python =3.12
+  - jobflow =0.2.0
+  - aiida-workgraph =0.7.3

.bak/pwd-recursive-while/jobflow.ipynb

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+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "0",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "from jobflow import job, Flow, Response\n",
+    "from jobflow.managers.local import run_locally"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "1",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "@job\n",
+    "def while_loop(n, m):\n",
+    "    if m > n: \n",
+    "        return m\n",
+    "    m += 1\n",
+    "    job_1 = while_loop(n=n, m=m)\n",
+    "    return Response(replace=job_1, output=job_1.output)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "flow = Flow([while_loop(n=5, m=0)])\n",
+    "run_locally(flow)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "3",
+   "metadata": {},
+   "outputs": [],
+   "source": []
+  }
+ ],
+ "metadata": {
+  "kernelspec": {
+   "display_name": "Python 3 (ipykernel)",
+   "language": "python",
+   "name": "python3"
+  },
+  "language_info": {
+   "codemirror_mode": {
+    "name": "ipython",
+    "version": 3
+   },
+   "file_extension": ".py",
+   "mimetype": "text/x-python",
+   "name": "python",
+   "nbconvert_exporter": "python",
+   "pygments_lexer": "ipython3",
+   "version": "3.13.8"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}