diff --git a/arkane/gaussian.py b/arkane/gaussian.py index b4b31b3f33c..6c9b81c0931 100644 --- a/arkane/gaussian.py +++ b/arkane/gaussian.py @@ -149,7 +149,10 @@ def loadGeometry(self): number = numpy.array(number, numpy.int) mass = numpy.array(mass, numpy.float64) if len(number) == 0 or len(coord) == 0 or len(mass) == 0: - raise InputError('Unable to read atoms from Gaussian geometry output file {0}'.format(self.path)) + raise InputError('Unable to read atoms from Gaussian geometry output file {0}. ' + 'Make sure the output file is not corrupt.\nNote: if your species has ' + '50 or more atoms, you will need to add the `iop(2/9=2000)` keyword to your ' + 'input file so Gaussian will print the input orientation geomerty.'.format(self.path)) return coord, number, mass