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Rename pd_facets to facets in example notebook
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kavanase committed Aug 25, 2023
1 parent eb63bca commit 4bcd7e5
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions examples/dope_parsing_example.ipynb
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Expand Up @@ -1013,7 +1013,7 @@
"\u001B[0manalysis\u001B[0m\u001B[0;34m.\u001B[0m\u001B[0mformation_energy_table\u001B[0m\u001B[0;34m(\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mdefect_phase_diagram\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mdoped\u001B[0m\u001B[0;34m.\u001B[0m\u001B[0mutils\u001B[0m\u001B[0;34m.\u001B[0m\u001B[0mlegacy_pmg\u001B[0m\u001B[0;34m.\u001B[0m\u001B[0mthermodynamics\u001B[0m\u001B[0;34m.\u001B[0m\u001B[0mDefectPhaseDiagram\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mchempot_limits\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mOptional\u001B[0m\u001B[0;34m[\u001B[0m\u001B[0mDict\u001B[0m\u001B[0;34m]\u001B[0m \u001B[0;34m=\u001B[0m \u001B[0;32mNone\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mpd_facets\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mOptional\u001B[0m\u001B[0;34m[\u001B[0m\u001B[0mList\u001B[0m\u001B[0;34m]\u001B[0m \u001B[0;34m=\u001B[0m \u001B[0;32mNone\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mfacets\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mOptional\u001B[0m\u001B[0;34m[\u001B[0m\u001B[0mList\u001B[0m\u001B[0;34m]\u001B[0m \u001B[0;34m=\u001B[0m \u001B[0;32mNone\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mfermi_level\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mfloat\u001B[0m \u001B[0;34m=\u001B[0m \u001B[0;36m0\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mhide_cols\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mOptional\u001B[0m\u001B[0;34m[\u001B[0m\u001B[0mList\u001B[0m\u001B[0;34m]\u001B[0m \u001B[0;34m=\u001B[0m \u001B[0;32mNone\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
"\u001B[0;34m\u001B[0m \u001B[0mshow_key\u001B[0m\u001B[0;34m:\u001B[0m \u001B[0mbool\u001B[0m \u001B[0;34m=\u001B[0m \u001B[0;32mTrue\u001B[0m\u001B[0;34m,\u001B[0m\u001B[0;34m\u001B[0m\n",
Expand All @@ -1026,7 +1026,7 @@
"the key-value pair: {\"facets\": [{'facet': [chempot_dict]}]}, following the format generated\n",
"by chempot_limits = cpa.read_phase_diagram_and_chempots() (see example notebooks). In the\n",
"latter case, a subset of facet(s) / chemical potential limit(s) can be chosen with the\n",
"pd_facets argument, or if not specified, will print formation energy tables for each facet in\n",
"facets argument, or if not specified, will print formation energy tables for each facet in\n",
"the phase diagram.\n",
"Returns the results a pandas DataFrame or list of DataFrames.\n",
"\n",
Expand All @@ -1041,7 +1041,7 @@
" by chempot_limits = cpa.read_phase_diagram_and_chempots() (see example notebooks). If\n",
" not specified, chemical potentials are not included in the formation energy calculation\n",
" (all set to zero energy).\n",
" pd_facets (list):\n",
" facets (list):\n",
" A list facet(s) / chemical potential limit(s) for which to print the defect formation\n",
" energy tables. If not specified, will print formation energy tables for each facet in\n",
" the phase diagram. (default: None)\n",
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