Refactor: charge_mixing#3250
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Qianruipku merged 12 commits intodeepmodeling:developfrom Nov 25, 2023
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Before: only one mixing_beta can be used for this mixing After: We can define any form of mixing_beta function.
YuLiu98
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Nov 25, 2023
WHUweiqingzhou
approved these changes
Nov 25, 2023
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WHUweiqingzhou
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Thanks for your effort! This refactor is helpful for the implementation of new mixing method.
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@Qianruipku This PR does not reduce the number of Warnings. |
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move functions in mixing to cpp files
Before: only one mixing_beta can be used for this mixing
After: We can define any form of mixing_beta function.
Add UTs for double_grid
fix different charge_mixing reults of USPP (NSPIN = 2) because the global varibal in mixing of #3226
Change time out to 1600 s
Update results by #2998 mentioned in #3242
The results changed because:
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Fix #...
What's changed?
Any changes of core modules? (ignore if not applicable)