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Update quickstart notebook #847

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merged 2 commits into from
Aug 20, 2024
Merged

Update quickstart notebook #847

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cf52659
Update quickstart notebook
janash Aug 20, 2024
cfd9aed
pin sphinx version for docs
janash Aug 20, 2024
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2 changes: 1 addition & 1 deletion docs/requirements.txt
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
sphinx_design
pydata_sphinx_theme
sphinx
sphinx<8.0
sphinx-copybutton
autodoc-pydantic==1.9.0
pydantic==1.10.13
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17 changes: 6 additions & 11 deletions docs/source/quickstart/qca_15min.ipynb
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Expand Up @@ -135,8 +135,7 @@
"`query_records` with arguments `created_before` and `created_after`.\n",
"\n",
"There are many fields you can query the database on and this can differ by the type of computation you'd like to retrieve.\n",
"The query method returns a Python iterator.\n",
"For more detailed information, see [the quickstart tutorial on querying](query-quickstart)."
"The query method returns a Python iterator."
]
},
{
Expand All @@ -145,7 +144,7 @@
"metadata": {},
"outputs": [],
"source": [
"records = client.query_records(created_after=\"2023/01/10\", created_before=\"2023/01/14\")\n",
"records = client.query_records(created_after=\"2024/01/01\")\n",
"\n",
"# Print the first record.\n",
"print(next(records))"
Expand Down Expand Up @@ -318,14 +317,10 @@
"metadata": {},
"outputs": [],
"source": [
"water_xyz = \"\"\"\n",
"3\n",
"\n",
"H 0.026223561887 1.224983815810 0.000000000000\n",
"H 0.971741135004 0.039335313725 0.000000000000\n",
"O 0.002035305512 0.235680871424 0.000000000000\n",
"\n",
"\"\"\"\n",
"water_xyz = \"\"\"3\n",
" H 0.026223561887 1.224983815810 0.000000000000\n",
" H 0.971741135004 0.039335313725 0.000000000000\n",
" O 0.002035305512 0.235680871424 0.000000000000\"\"\"\n",
"\n",
"water = Molecule.from_data(water_xyz)"
]
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