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allow defining magnetic moment for each atom and some other minor revision #312

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merged 11 commits into from
Aug 24, 2021

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ZhouGD2000
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  1. move INPUT parameter from dftu.cpp to input_conv.cpp .
  2. allow defining magnetic moment for each atom, instead of each type of atom, while the original way is also preserved.
  3. update the document concerning DFT+U module and the above revision .

@dyzheng dyzheng merged commit 507ba11 into deepmodeling:reconstruction Aug 24, 2021
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