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…ients argument (#1847) The eval_gradients() methods duplicate much of the code of the eval() methods. To increase the maintainability of the code, the eval_gradients() methods have been removed, and the computation of partial derivatives is now done by the eval() methods if the optional gradients argument is set to true.
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- New naming scheme. - New utility functions/constructor supporting cutoff-energy. - Usage of new helper functions for xml read-in/write-out.
