Merge pull request #69 from pylada/fix_68

Fixing sytax error in issue #68
pylada · Oct 13, 2023 · aade657 · aade657
2 parents 1516ea5 + f3b0632
commit aade657
Showing 1 changed file with 5 additions and 5 deletions.
diff --git a/src/pylada/espresso/structure_handling.py b/src/pylada/espresso/structure_handling.py
@@ -236,11 +236,11 @@ def add_structure(structure, f90namelist, cards):
             positions.value += "%s %18.12e %18.12e %18.12e\n" % (atom.type, atom.pos[0],
                                                                  atom.pos[1], atom.pos[2])
         else:
-            positions.value += "%s %18.12e %18.12e %18.12e %i %i %i\n"
-            %(atom.type, atom.pos[0],atom.pos[1], atom.pos[2],
-              'x' not in getattr(atom, 'freeze', ''),
-              'y' not in getattr(atom, 'freeze', ''),
-              'z' not in getattr(atom, 'freeze', '')) 
+            positions.value += "%s %18.12e %18.12e %18.12e %i %i %i\n"%(
+                atom.type, atom.pos[0],atom.pos[1], atom.pos[2],
+                'x' not in getattr(atom, 'freeze', ''),
+                'y' not in getattr(atom, 'freeze', ''),
+                'z' not in getattr(atom, 'freeze', '')) 
     # end selective dynamics modification
 
     __add_forces_to_input(cards, structure)