Base workchain: improve output parsing.

aiida_cp2k/workchains/base.py

@@ -1,5 +1,7 @@
 """Base work chain to run a CP2K calculation."""
 
+import re
+
 from aiida import common, engine, orm, plugins
 
 from .. import utils
@@ -85,7 +87,7 @@ def restart_incomplete_calculation(self, calc):
         content_string = calc.outputs.retrieved.base.repository.get_object_content(calc.base.attributes.get('output_filename'))
 
         # CP2K was updating geometry - continue with that.
-        restart_geometry_transformation = "Max. gradient              =" in content_string or "OPT| Maximum gradient                                              " in content_string or "MD| Step number" in content_string
+        restart_geometry_transformation = re.search(r"Max. gradient\s+=", content_string) or re.search(r"OPT\| Maximum gradient\s*[-+]?\d*\.?\d+", content_string) or "MD| Step number" in content_string
         end_inner_scf_loop = "Total energy: " in content_string
         # The message is written in the log file when the CP2K input parameter `LOG_PRINT_KEY` is set to True.
         if not (restart_geometry_transformation or end_inner_scf_loop or "Writing RESTART" in content_string):