Neighbor-list reduction: Optimization fo
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Weiser, J๏ฟฝrg; Weiser, Armin A.; Shenkin, Peter S.; Still, W. Clark
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Article
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1998
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John Wiley and Sons
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English
โ 222 KB
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A general, fast, and exact optimization, called neighbor-list ## ลฝ . reduction NLR , is presented, which can be used to accelerate the computation of hard-sphere molecular surface areas. NLR allows selected neighbors of a central atom to be removed from the computation in a preprocessing step, thu