NASA NTRS · 19860020457
A vectorized molecule code
Abstract
The vectorization of the computational chemistry code, MOLECULE, is discussed. Computational simplifications of molecular integrals, memory management, and contraction schemes are addressed and a brief guide for users is included.
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Almloef, J.. 1984-08-31. A vectorized molecule code. https://ntrs.nasa.gov/citations/19860020457
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