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The default reducer puts out the evaluator and a bunch of other C++ extension types that pickle then chokes on. Side step the problem here by providing a reducer that just makes unpickling equivalent to a new instantiation. The only difficulty here is that basis_set stays a file name if initialized like that and that PyACECalculator.__init__ expects it as a positional argument. Avoid the filename by dumping the whole bbasis config, so that unpickling can happen on other machines or in different locations.
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The default reducer puts out the evaluator and a bunch of other C++ extension types that pickle then chokes on. Side step the problem here by providing a reducer that just makes unpickling equivalent to a new instantiation. The only difficulty here is that basis_set stays a file name if initialized like that and that PyACECalculator.init expects it as a positional argument.
Avoid the filename by dumping the whole bbasis config, so that unpickling can happen on other machines or in different locations.
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