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DomFijan committed Jul 4, 2024
1 parent a790d7d commit 69a863c
Showing 1 changed file with 15 additions and 10 deletions.
25 changes: 15 additions & 10 deletions docs/tutorials/01-Custom-generators/Custom-generator.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -36,12 +36,13 @@
}
],
"source": [
"import dupin as du\n",
"import gsd.hoomd\n",
"import freud\n",
"import gsd.hoomd\n",
"import matplotlib.pyplot as plt\n",
"import ruptures as rpt\n",
"\n",
"import dupin as du\n",
"\n",
"ls = 6\n",
"FILENAME = \"../data/lj-sim.gsd\"\n",
"steinhardt = freud.order.Steinhardt(l=ls)\n",
Expand Down Expand Up @@ -114,12 +115,13 @@
}
],
"source": [
"import dupin as du\n",
"import gsd.hoomd\n",
"import freud\n",
"import gsd.hoomd\n",
"import matplotlib.pyplot as plt\n",
"import ruptures as rpt\n",
"\n",
"import dupin as du\n",
"\n",
"ls = 6\n",
"FILENAME = \"../data/lj-sim.gsd\"\n",
"\n",
Expand Down Expand Up @@ -202,12 +204,13 @@
}
],
"source": [
"import dupin as du\n",
"import gsd.hoomd\n",
"import freud\n",
"import gsd.hoomd\n",
"import matplotlib.pyplot as plt\n",
"import ruptures as rpt\n",
"\n",
"import dupin as du\n",
"\n",
"# Usage example\n",
"ls = [6, 12]\n",
"FILENAME = \"../data/lj-sim.gsd\"\n",
Expand Down Expand Up @@ -298,15 +301,17 @@
}
],
"source": [
"import dupin as du\n",
"import gsd.hoomd\n",
"import freud\n",
"import gsd.hoomd\n",
"import matplotlib.pyplot as plt\n",
"import ruptures as rpt\n",
"\n",
"import dupin as du\n",
"\n",
"ls = [6, 12]\n",
"FILENAME = \"../data/lj-sim.gsd\"\n",
"\n",
"\n",
"# custom generator function\n",
"def minkowski_generator(system):\n",
" # compute voronoi neighbors and get nlist\n",
Expand All @@ -318,8 +323,8 @@
" steinhardt.compute(system, neighbors=nlist)\n",
" keys = [f\"M{l}\" for l in ls]\n",
" properties_dict = {}\n",
" for i, keys in enumerate(keys):\n",
" properties_dict[keys] = steinhardt.particle_order.T[i]\n",
" for i, key in enumerate(keys):\n",
" properties_dict[key] = steinhardt.particle_order.T[i]\n",
" return properties_dict\n",
"\n",
"\n",
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