Fix regex in cp2k

nomad-coe · May 24, 2024 · 8293681 · 8293681
1 parent bbd8cd1
commit 8293681
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/electronicparsers/cp2k/parser.py b/electronicparsers/cp2k/parser.py
@@ -815,7 +815,7 @@ def str_to_information(val_in):
             ),
             Quantity(
                 'atomic_coordinates',
-                r'(?i) atomic coordinates(?: in) (angstrom[\s\S]+?)\n\n\n',
+                r'(?i: atomic coordinates(?: in) (angstrom))([\s\S]+?)\n\n\n',
                 convert=False,
                 str_operation=str_to_atomic_coordinates,
             ),  # TODO: if we always capture angstrom, then no need to extract the units...