Liu Gaoyong issues

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                                            Liu Gaoyong

python2 isn't supported by PSF, why don't upgrade p4vasp for python3？

Python2 will be come to an end in 2020, why not migrate this project to python3？？

Cannot reproduce the result in `pka_prediction.ipynb` notebook

Hello, developer @mayrf I just run [pka_prediction.ipynb](https://colab.research.google.com/github/mayrf/pkasolver/blob/main/notebooks/pka_prediction.ipynb) on Google Colab. But I got different result with your original version. Can you tell me more document for how to use this...

GFNFF

Hello, developer. Is there any plan to support [GFN-FF](https://xtb-docs.readthedocs.io/en/latest/gfnff.html)? Thanks for any answers.

How to Get Shake Lagrangian Multipliers for Constrained MD ?

Hi, developer. I have noticed that `shake` in `$md` namespace, but the Shake Lagrangian Multipliers have not been found in result. Is `xtb` support this? Thanks for any answers.