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@@ -293,25 +291,16 @@ make LIBXC_DIR=/pulic/soft/libxc
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directly.
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### Add DeePKS Support
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### Add ML-ALGO Support
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To compile ABACUS with DEEPKS, you need to set `ENABLE_DEEPKS = ON`, and define `LIBTORCH_DIR` and `LIBNPY_DIR` in the file `Makefile.vars` or use
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To compile ABACUS with machine learning algorithms, you need to set `ENABLE_ML4DFT = ON`, and define `LIBTORCH_DIR` and `LIBNPY_DIR` in the file `Makefile.vars` or use
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```makefile
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make ENABLE_DEEPKS=ON LIBTORCH_DIR=/opt/libtorch/ LIBNPY_DIR=/opt/libnpy/
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make ENABLE_ML4DFT=ON LIBTORCH_DIR=/opt/libtorch/ LIBNPY_DIR=/opt/libnpy/
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```
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directly.
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### Add ML-KEDF Support
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To compile ABACUS with ML-KEDF, you need to set `ENABLE_MLKEDF = ON`, and define `LIBTORCH_DIR` and `LIBNPY_DIR` in the file `Makefile.vars` or use
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```makefile
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make ENABLE_MLKEDF=ON LIBTORCH_DIR=/opt/libtorch/ LIBNPY_DIR=/opt/libnpy/
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