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1 parent 9975469 commit eda2350Copy full SHA for eda2350
other/materials_designer/create_grain_boundary_film.ipynb
@@ -64,8 +64,9 @@
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"# Should be less than the expected bond length\n",
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"DISTANCE_TOLERANCE = 1.2 # in Angstroms\n",
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"\n",
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- "# How much of the edge region to keep for left material to overlap in the interfacial region. A fine-tuning parameter.\n",
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- "EDGE_INCLUSION_TOLERANCE = 1.0 # in Angstroms\n",
+ "# How much to expand inclusion of the edge atoms for both orientations and fill in the gap region.\n",
+ "# A fine-tuning parameter\n",
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+ "EDGE_INCLUSION_TOLERANCE = 0.5 # in Angstroms\n",
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"# Visualization parameters\n",
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"SHOW_INTERMEDIATE_STEPS = True\n",
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