berquist / overlapintegrals

Overlap integrals over GTOs (THO66 algorithm) in many languages

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overlapintegrals

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Overlap integrals over GTOs (THO66 algorithm) in many languages

quantum-chemistry electronic-structure integral-equations chrestomathy python julia common-lisp cpp rust nim racket

BSD 3-Clause "New" or "Revised" License

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Language:Python 32.7%Language:C++ 14.3%Language:Nim 10.4%Language:Rust 10.1%Language:Racket 8.9%Language:Julia 8.5%Language:Common Lisp 7.7%Language:Shell 2.9%Language:Batchfile 2.0%Language:Makefile 1.6%Language:CMake 0.8%