Double quotation marks correction

juraskov · Mar 27, 2024 · 5b21e54 · 5b21e54
1 parent b99b392
commit 5b21e54
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/mlptrain/potentials/ace/ace.py b/mlptrain/potentials/ace/ace.py
@@ -174,10 +174,10 @@ def _print_input(self, filename: str, **kwargs) -> None:
         print(
             'r0 = 1.3\n'
             f'r_in = {self._r_in_estimate:.4f}\n'  # inner cutoff of ACE, choose a little more than min dist in dataset
-            f'r_cut = {Config.ace_params['r_cut']}\n'  # outer cutoff of ACE
+            f"r_cut = {Config.ace_params['r_cut']}\n"  # outer cutoff of ACE
             '\n'
-            f'deg_pair = {Config.ace_params['deg_pair']}\n'  # Specify the pair potential
-            f'r_cut_pair = {Config.ace_params['r_cut_pair']}\n',
+            f"deg_pair = {Config.ace_params['deg_pair']}\n"  # Specify the pair potential
+            f"r_cut_pair = {Config.ace_params['r_cut_pair']}\n",
             file=inp_file,
         )