diff --git a/src/chemPackage/ams/read_file.py b/src/chemPackage/ams/read_file.py index 9b1474f..186850e 100644 --- a/src/chemPackage/ams/read_file.py +++ b/src/chemPackage/ams/read_file.py @@ -176,6 +176,8 @@ def read_file(self): # Use the broad search in a set for fastest searching. if ' SCF MODERATELY CONVERGED' == line: print(self.filename, 'WARNING: SCF MODERATELY CONVERGED') + if 'Geometry optimization did NOT converge' == line: + print(self.filename, 'WARNING: GEOMETRY NOT CONVERGED') if line in search_lines: # If the line is in the first dict, store then remove from search if line in first: