fix tqdm order (#377)

* Update orca.py * Update cp2k.py
zincware · Dec 12, 2024 · b73dd4c · b73dd4c
1 parent 8cf9a6a
commit b73dd4c
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/ipsuite/calculators/cp2k.py b/ipsuite/calculators/cp2k.py
@@ -95,7 +95,7 @@ def run(self):
         calc = self.get_calculator()
         self.failed_configs = {"skipped": []}
 
-        for idx, atoms in tqdm.tqdm(enumerate(self.data), ncols=70):
+        for idx, atoms in enumerate(tqdm.tqdm(self.data, ncols=70)):
             atoms.calc = calc
             try:
                 atoms.get_potential_energy()

diff --git a/ipsuite/calculators/orca.py b/ipsuite/calculators/orca.py
@@ -39,7 +39,7 @@ def run(self):
             skip = len(db)
 
         calc = self.get_calculator()
-        for idx, atoms in tqdm.tqdm(enumerate(self.data), ncols=70, total=len(self.data)):
+        for idx, atoms in enumerate(tqdm.tqdm(self.data, ncols=70, total=len(self.data))):
             if idx < skip:
                 continue
             atoms.calc = calc