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wait for symmol to terminate properly
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Mirko Scholz committed Jan 27, 2017
1 parent dbb78ae commit f019243
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1 change: 1 addition & 0 deletions symmetrize_xyz.py
Original file line number Diff line number Diff line change
Expand Up @@ -35,6 +35,7 @@ def main(infile, tolerance=0.7, target_point_group='C2h', xyzin=None):
raise RuntimeError('something went wrong')
if m.group(1) != target_point_group:
raise AssertionError(infile+' got point group '+m.group(1))
symmol.wait()


if __name__ == '__main__':
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