Remove `ade.Calculation.get_<X>`

duartegroup / autodE

automated reaction profile generation

https://duartegroup.github.io/autodE/

MIT License

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Remove `ade.Calculation.get_<X>` #217

Closed t-young31 closed 1 year ago

t-young31 commented 1 year ago

There has been a deprecation warning since v1.3.0 and will be removed in v1.4.0. The new API simply updates the values of the energy/gradient/hessian/partial charges of the molecule on which the calculation is performed.