Add scripts to read go database

examples/tools/13-xyz_from_database_url.py

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+#!/usr/bin/env python
+# Authors: Nike Dattani ([email protected]) and Vandan Revanur ([email protected])
+
+import requests  # First run "pip install requests"
+import pyscf
+from pyscf.tools.get_xyz import get_xyz
+
+geometry_database =   'https://raw.githubusercontent.com/HPQC-LABS/goDatabase/master/benchmark_sets/gw5000.txt'
+
+molecule_name =       'C10H15NO2S2'
+geometry_identifier = 'GW5000'
+geometry_version =    '0'
+geometry_name = molecule_name+':'+geometry_identifier+'.v'+geometry_version
+
+page = requests.get(geometry_database)
+data = page.text
+molecule_xyz = get_xyz(data, geometry_name)
+
+print(molecule_xyz)
+mol = pyscf.M(atom=molecule_xyz, basis='sto-3g', verbose=5, spin=0, charge=0)
+print(mol)
+

pyscf/tools/get_xyz.py

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+import re
+
+def get_xyz(db_data:str, name:str)-> str:
+    p = re.compile(f'NAME = {name}(.*?)NAME', flags=re.DOTALL)
+    result = p.search(db_data)
+
+    xyz_info = result.group(1)
+    return xyz_info