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update doc
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docs/advanced/install.md

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@@ -206,8 +206,7 @@ CEREAL_DIR = /usr/local/include/cereal
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##------------------- OPTIONAL LIBS ---------------------------------
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## To use DEEPKS: set ENABLE_DEEPKS = ON, and set LIBTORCH_DIR and LIBNPY_DIR
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## To use MLKEDF: set ENABLE_MLKEDF = ON, and set LIBTORCH_DIR and LIBNPY_DIR
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## To use ML4DFT: set ENABLE_ML4DFT = ON, and set LIBTORCH_DIR and LIBNPY_DIR
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## To use LIBXC: set LIBXC_DIR which contains include and lib/libxc.a (>5.1.7)
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## To use DeePMD: set DeePMD_DIR LIBTORCH_DIR and TensorFlow_DIR
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# LIBTORCH_DIR = /usr/local
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# LIBNPY_DIR = /usr/local
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ENABLE_DEEPKS = OFF
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ENABLE_MLKEDF = OFF
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ENABLE_ML4DFT = OFF
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# LIBXC_DIR = /public/soft/libxc
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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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```
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directly.
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### Add DeePMD-kit Support
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source/Makefile.vars

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@@ -55,8 +55,7 @@ CEREAL_DIR = /usr/local/include/cereal
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##------------------- OPTIONAL LIBS ---------------------------------
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## To use DEEPKS: set ENABLE_DEEPKS = ON, and define LIBTORCH_DIR and LIBNPY_DIR
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## To use MLKEDF: set ENABLE_MLKEDF = ON, and define LIBTORCH_DIR and LIBNPY_DIR
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## To use ML4DFT: set ENABLE_ML4DFT = ON, and define LIBTORCH_DIR and LIBNPY_DIR
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## To use LIBXC: set LIBXC_DIR which contains include and lib/libxc.a (>5.1.7)
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## To use DeePMD: set DeePMD_DIR LIBTORCH_DIR and TensorFlow_DIR
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## To use LibRI: set LIBRI_DIR and LIBCOMM_DIR
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# LIBTORCH_DIR = /usr/local
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# LIBNPY_DIR = /usr/local
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ENABLE_DEEPKS ?= OFF
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ENABLE_MLKEDF ?= OFF
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ENABLE_ML4DFT ?= OFF
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# LIBXC_DIR = /public/soft/libxc
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