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refactor(NEP): Update the name of NEP class, and modify the makefile (#6804)
Recently, the NEP_CPU has relesaed a breaking change related to the `qNEP`, the original API has been changed: 1. reaname the `NEP3` to `NEP` 2. add the `ewald.cpp` and `neighbor.cpp`.
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source/source_esolver/esolver_nep.h

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@@ -90,7 +90,7 @@ class ESolver_NEP : public ESolver
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* @note These variables are only defined if the __NEP preprocessor macro is defined.
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*/
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#ifdef __NEP
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NEP3 nep; ///< NEP3 object for NEP calculations
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NEP nep; ///< NEP object for NEP calculations
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#endif
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std::string nep_file; ///< directory of NEP model file

toolchain/scripts/stage4/install_nep.sh

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@@ -63,7 +63,7 @@ CXXFLAGS = -O2 -fPIC -std=c++11
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INCLUDES = -I./src
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# Source files
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SRCS = ./src/nep.cpp
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SRCS = ./src/nep.cpp ./src/ewald.cpp ./src/neighbor.cpp
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# Object files
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OBJS = \$(SRCS:.cpp=.o)
@@ -91,7 +91,7 @@ install:
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mkdir -p \$(PREFIX)/lib
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mkdir -p \$(PREFIX)/include
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cp \$(TARGET) \$(PREFIX)/lib/
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cp src/nep.h \$(PREFIX)/include/
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cp src/*.h \$(PREFIX)/include/
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EOF
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make > make.log 2>&1 || tail -n ${LOG_LINES} make.log

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