simint

Simint is a vectorized implementation of the Obara-Saika (OS) method of calculating electron repulsion integrals. Speedup is gained by vectorizing the primitive loop of the OS algorithm, with additional vectorization and optimizations left to the compiler.

homepage: https://www.bennyp.org/research/simint/

version	versionsuffix	toolchain
0.7	-lmax-5-vec-avx-psi4	GCC/11.2.0

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