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Fix: Update NEP interface to match NEP_CPU's update #6804

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Merged
mohanchen merged 1 commit into from
Dec 25, 2025
Merged

Fix: Update NEP interface to match NEP_CPU's update #6804

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2 changes: 1 addition & 1 deletion source/source_esolver/esolver_nep.h
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Original file line number Diff line number Diff line change
Expand Up @@ -90,7 +90,7 @@ class ESolver_NEP : public ESolver
* @note These variables are only defined if the __NEP preprocessor macro is defined.
*/
#ifdef __NEP
NEP3 nep; ///< NEP3 object for NEP calculations
NEP nep; ///< NEP object for NEP calculations
#endif

std::string nep_file; ///< directory of NEP model file
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4 changes: 2 additions & 2 deletions toolchain/scripts/stage4/install_nep.sh
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Expand Up @@ -63,7 +63,7 @@ CXXFLAGS = -O2 -fPIC -std=c++11
INCLUDES = -I./src

# Source files
SRCS = ./src/nep.cpp
SRCS = ./src/nep.cpp ./src/ewald.cpp ./src/neighbor.cpp

# Object files
OBJS = \$(SRCS:.cpp=.o)
Expand Down Expand Up @@ -91,7 +91,7 @@ install:
mkdir -p \$(PREFIX)/lib
mkdir -p \$(PREFIX)/include
cp \$(TARGET) \$(PREFIX)/lib/
cp src/nep.h \$(PREFIX)/include/
cp src/*.h \$(PREFIX)/include/
EOF

make > make.log 2>&1 || tail -n ${LOG_LINES} make.log
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