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ss0832 · Mar 3, 2025 · 1417d13 · 1417d13
1 parent de88d4f
commit 1417d13
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/biaspotpy/optimization.py b/biaspotpy/optimization.py
@@ -248,7 +248,7 @@ def apply_projection_constraints_to_geometry(self, projection_constrain, PC, new
         if projection_constrain:
             tmp_new_geometry = new_geometry / self.bohr2angstroms
             adjusted_geometry = PC.adjust_init_coord(tmp_new_geometry) * self.bohr2angstroms
-            return adjusted_geometry
+            return adjusted_geometry, PC
 
         return new_geometry, PC