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[ Source: simint  ]

Package: libsimint-dev (0.7-2)

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Two-electron integral library (development)

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.

Simint is capable of calculating ERI with the angular momentum in any order. That is, it is possible to calculate (ds|ds) and (sd|ds) directly, without permutation of the resulting integrals.

This package contains the static library and header files.

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Download for all available architectures
Architecture Package Size Installed Size Files
amd64 5,416.7 kB42,882.0 kB [list of files]
i386 3,866.3 kB34,474.0 kB [list of files]
x32 (unofficial port) 5,152.4 kB34,369.0 kB [list of files]