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Merge pull request espressomd#2339 from pkreissl/lj_tutorial
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Correct LJ tutorial.
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KaiSzuttor authored and RudolfWeeber committed Oct 26, 2018
1 parent 327eec5 commit 81ff4c7
Showing 1 changed file with 15 additions and 6 deletions.
21 changes: 15 additions & 6 deletions doc/tutorials/01-lennard_jones/01-lennard_jones.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -215,8 +215,8 @@
"# Importing other relevant python modules\n",
"import numpy as np\n",
"# System parameters\n",
"n_part = 50\n",
"density = 0.1442\n",
"n_part = 100\n",
"density = 0.5\n",
"\n",
"box_l=np.power(n_part/density, 1.0/3.0)*np.ones(3)"
]
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"eq_tstep = 0.001\n",
"temperature = 0.728\n",
"\n",
"system.time_step = time_step"
"system.time_step = time_step\n",
"system.cell_system.skin = skin"
]
},
{
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"system.auto_update_accumulators.add(msd_corr)\n",
"\n",
"# Set parameters for the radial distribution function\n",
"r_bins = 50\n",
"r_bins = 70\n",
"r_min = 0.0\n",
"r_max = system.box_l[0]/2.0\n",
"\n",
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"outputs": [],
"source": [
"import matplotlib.pyplot as plt\n",
"plt.ion()\n",
"plt.ion()"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
"fig1 = plt.figure(num=None, figsize=(10, 6), dpi=80, facecolor='w', edgecolor='k')\n",
"fig1.set_tight_layout(False)\n",
"plt.plot(r, avg_rdf,'-', color=\"#A60628\", linewidth=2, alpha=1)\n",
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython2",
"version": "2.7.12"
"version": "2.7.15rc1"
}
},
"nbformat": 4,
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