librysq

alpha
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Description

librysq is C/C++ implementation of the Rys quadrature for computing arbitrary electron repulsion integrals on CPU and CUDA GPUs. A FORTRAN interface is provided for compatibility with the existing chemistry packages.

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Additional Project Details

Intended Audience

Advanced End Users, Developers, Science/Research

Programming Language

C, C++, Python

Registered

2009-03-29
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