diff --git a/TCutility/results/ams.py b/TCutility/results/ams.py index 7792f0ee..015f9da2 100644 --- a/TCutility/results/ams.py +++ b/TCutility/results/ams.py @@ -398,6 +398,7 @@ def get_ams_input(calc_dir: str): 'PESPointCharacter', 'Properties', 'TransitionStateSearch', + 'GeometryOptimization', 'ReactionCoordinate', 'SCF', 'Relativity', @@ -428,7 +429,6 @@ def get_ams_input(calc_dir: str): # we open and look through each line in the input file for line in reader_ams.read('General', 'user input').splitlines(): line = line.strip() - if line == '': continue