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cpp program to generate variety kind of analytical integrals based on Gaussian type functions in quantum chemistry
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murfreesboro/cppints
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cppints is a C++ compiler to generate variety kind of analytical integral codes based on Cartesian Gaussian functions for Quantum Chemistry softwares. For a simple run, you should modify the Makefile and do compile, running binary will be like: ./cppints infor.txt infor.txt is a text file for job control purpose. We have a sample infor.txt in the trunk folder. it's documents is not finished, if you have problem using the cppints code, please send email to fenglai liu: fhilosophierr@gmail.com
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cpp program to generate variety kind of analytical integrals based on Gaussian type functions in quantum chemistry
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