added try except to_string VS to_str #39
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I think the tests are failing due to pymatgen parsing some extra stuff. I think the tests can probably be just updated to include the extra stuff and let them fail for the old version instead. |
eimrek
approved these changes
Jul 26, 2024
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fixes #40 |
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from pymatgen.io.gaussian import GaussianInput
GaussianInput.to_string fails in
pymatgen==2024.3.1