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removing legacy mixing flag in mc example #70

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merged 4 commits into from
Aug 4, 2024
Merged

removing legacy mixing flag in mc example #70

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bd89449
removing legacy mixing flag
Aug 2, 2024
e33f36e
removing legacy mixing flag
Aug 2, 2024
9e04819
clearing outputs
Aug 3, 2024
672dba8
clearing outputs
Aug 3, 2024
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19 changes: 9 additions & 10 deletions examples/simple_examples/monte_carlo.ipynb
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Original file line number Diff line number Diff line change
Expand Up @@ -20,10 +20,16 @@
"metadata": {},
"outputs": [],
"source": [
"import warnings\n",
"from pylj import mc, sample, util\n",
"import numpy as np\n",
"import matplotlib.pyplot as plt\n",
"\n",
"warnings.filterwarnings('ignore')\n",
"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",
" constants=[[1.363e-134, 9.273e-78],[1.365e-130, 9.278e-77]]\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",
Expand Down Expand Up @@ -72,16 +78,9 @@
"metadata": {},
"outputs": [],
"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,
Expand Down
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