diff --git a/aimdfragmentation/frag.py b/aimdfragmentation/frag.py index 4d5df86..018c6e5 100644 --- a/aimdfragmentation/frag.py +++ b/aimdfragmentation/frag.py @@ -266,7 +266,7 @@ def _takeforce(self): kbodyforces[i][kbodyerroratoms[i] ] = self.fold[kbodyerroratoms[i]][:, 3:6] logging.info( - f"Atom {' '.join(kbodyerroratoms[i])} use(s) the old {i}-body forces.") + f"Atom {' '.join(map(str, kbodyerroratoms[i]))} use(s) the old {i}-body forces.") finalforces = np.sum(kbodyforces, axis=0) finalenergies = np.sum(kbodyenergies) # Make the resultant force equal to 0