libecpint

Library for efficient evaluation of integrals over effective core potentials

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About

Library for the efficient evaluation of integrals over effective core potentials

Commands

libecpint

Examples

Link libecpint in C++ quantum chemistry code for ECP integral calculations$ g++ -o program program.cpp -lecpint -I/usr/local/include
Check libecpint installation and verify library availability$ pkg-config --cflags --libs libecpint
Use libecpint in CMake project configuration$ find_package(libecpint REQUIRED)