Merge branch 'qchem' of https://github.com/samblau/pymatgen into qchem

materialsproject · Jan 19, 2023 · 0d12a46 · 0d12a46
2 parents 9fa205a + 153eda5
commit 0d12a46
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/pymatgen/io/qchem/utils.py b/pymatgen/io/qchem/utils.py
@@ -230,8 +230,8 @@ def process_parsed_HESS(hess_data):
     for ii, line in enumerate(hess_data):
         if ii not in [0, 1, len(hess_data) - 1]:
             split_line = line.split()
-            for jj in range(len(split_line)):
-                num = float(split_line[jj])
+            for val in split_line:
+                num = float(val)
                 hess[row][column] = num
                 if row == column:
                     row += 1