printout updates

ekwan · Jul 8, 2021 · e947492 · e947492
1 parent 3192d4f
commit e947492
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/cctk/quasiclassical.py b/cctk/quasiclassical.py
@@ -148,9 +148,9 @@ def apply_vibration(molecule, mode, min_freq=50, temperature=298, verbose=False,
     text = f"{mode.frequency:.1f} cm-1 ({energy:4.2f} kcal/mol)\t{method}\t Shift {shift:5.2f} of {max_shift:4.2f} Å ({rel_shift:5.0%})"
     text += f"\tPE = {potential_energy:4.2f} kcal/mol\tKE = {kinetic_energy:4.2f} kcal/mol\tk = {mode.force_constant:.1f} kcal/mol Å^-2"
     if not displacement:
-        text += "\n\t\tDisplacement manually set to zero"
+        text += "\n\t\tDisplacement manually set to zero!\n"
     if velocity == "zero":
-        text += "\n\t\tVelocity manually set to zero"
+        text += "\n\t\tVelocity manually set to zero!\n"
     if verbose:
         print(text)