47 support reading of lists in custom xyz files #48
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…o for copy.deepcopy function that plams often uses. Currently it simply returns the name and namespace of the class
SiebeLeDe
reviewed
Oct 25, 2023
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What is the purpose of reduce? Do we use pickling or so?
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plams uses the copy module from Python to copy molecule objects, however weird classes like Result may give problems with the copy.deepcopy function. To fix that we have to overload __reduce__ or __reduce_ex__. You can try to copy a molecule read by TCutility.molecule.read and then try to call its copy method. If you do not define __reduce__ in the Result class you will get an error.
ToriGijzen
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