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Forgot to add XC_FLAGS_NEEDS_TAU back in See merge request libxc/libxc!642
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@susilehtola This PR tries to remove the usage of unified memory in libxc. I made this changes for two reasons
Here are the related issues in GPU4PySCF |
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I think you meant to file a pull request against libxc. |
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@susilehtola Right. Since there are some changes in data structure and functional kernels, I wanted to have your early evaluation. |
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The change history is also junk, please rebase to libxc devel branch. |
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