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Fix a bug and format the code about DFT+U #357

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merged 7 commits into from
Sep 12, 2021

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ZhouGD2000
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Fix a bug about the force when dft_plus_U on. Now the force is consistent with the result of finite difference of energy.
Format the file about DFT+U to make it more readable.

@dyzheng
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dyzheng commented Sep 12, 2021

The format of code looks still not fully correct, we should setup the auto format transform in editors, and use ' ' rather than 'tab'

@dyzheng dyzheng merged commit 3021134 into deepmodeling:reconstruction Sep 12, 2021
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