removing legacy mixing flag

arm61 · Aug 2, 2024 · bd89449 · bd89449
1 parent 486123c
commit bd89449
Showing 1 changed file with 19 additions and 13 deletions.
diff --git a/examples/simple_examples/monte_carlo.ipynb b/examples/simple_examples/monte_carlo.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 25,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -16,14 +16,14 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 28,
    "metadata": {},
    "outputs": [],
    "source": [
     "def mc_simulation(number_of_particles, temperature, box_length, number_of_steps, sample_frequency):\n",
     "    # Initialise the system placing the particles on a square lattice\n",
     "    constants=[[1.363e-134, 9.273e-78],[1.363e-134, 9.273e-78]]\n",
-    "    system = mc.initialise(number_of_particles, temperature, box_length, 'square', constants=constants, mixing = False)\n",
+    "    system = mc.initialise(number_of_particles, temperature, box_length, 'square', constants=constants)\n",
     "    # This sets the sampling class as Energy, which shows the energy of the system\n",
     "    sample_system = sample.Energy(system)\n",
     "    # Compute the energy of the system\n",
@@ -68,20 +68,26 @@
   },
   {
    "cell_type": "code",
-   "execution_count": null,
+   "execution_count": 27,
    "metadata": {},
-   "outputs": [],
+   "outputs": [
+    {
+     "ename": "TypeError",
+     "evalue": "initialise() got an unexpected keyword argument 'mixing'",
+     "output_type": "error",
+     "traceback": [
+      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
+      "\u001b[0;31mTypeError\u001b[0m                                 Traceback (most recent call last)",
+      "Cell \u001b[0;32mIn[27], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m system \u001b[38;5;241m=\u001b[39m \u001b[43mmc_simulation\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m50\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m273.15\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m45\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m2500\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m25\u001b[39;49m\u001b[43m)\u001b[49m\n",
+      "Cell \u001b[0;32mIn[26], line 4\u001b[0m, in \u001b[0;36mmc_simulation\u001b[0;34m(number_of_particles, temperature, box_length, number_of_steps, sample_frequency)\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21mmc_simulation\u001b[39m(number_of_particles, temperature, box_length, number_of_steps, sample_frequency):\n\u001b[1;32m      2\u001b[0m     \u001b[38;5;66;03m# Initialise the system placing the particles on a square lattice\u001b[39;00m\n\u001b[1;32m      3\u001b[0m     constants\u001b[38;5;241m=\u001b[39m[[\u001b[38;5;241m1.363e-134\u001b[39m, \u001b[38;5;241m9.273e-78\u001b[39m],[\u001b[38;5;241m1.363e-134\u001b[39m, \u001b[38;5;241m9.273e-78\u001b[39m]]\n\u001b[0;32m----> 4\u001b[0m     system \u001b[38;5;241m=\u001b[39m \u001b[43mmc\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43minitialise\u001b[49m\u001b[43m(\u001b[49m\u001b[43mnumber_of_particles\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mtemperature\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mbox_length\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[38;5;124;43msquare\u001b[39;49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mconstants\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mconstants\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mmixing\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m)\u001b[49m\n\u001b[1;32m      5\u001b[0m     \u001b[38;5;66;03m# This sets the sampling class as Energy, which shows the energy of the system\u001b[39;00m\n\u001b[1;32m      6\u001b[0m     sample_system \u001b[38;5;241m=\u001b[39m sample\u001b[38;5;241m.\u001b[39mEnergy(system)\n",
+      "\u001b[0;31mTypeError\u001b[0m: initialise() got an unexpected keyword argument 'mixing'"
+     ]
+    }
+   ],
    "source": [
-    "system = mc_simulation(50, 273.15, 45, 1000, 25)"
+    "system = mc_simulation(50, 273.15, 45, 2500, 25)"
    ]
   },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
-  },
   {
    "cell_type": "code",
    "execution_count": null,