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Multiplicative congruential generators, their lattice structure, its relation to lattice-sublattice transformations and applications in crystallography

Hornfeck, W; Harbrecht, B
Acta Crystallographica Section A: Foundations of Crystallography , Volume 65 (6): 532 International Union of CrystallographyOct 17, 2009

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Multiplicative congruential generators, their lattice structure, its relation to lattice-sublattice transformations and applications in crystallography

Abstract

An analysis of certain types of multiplicative congruential generators - otherwise known for their application to the sequential generation of pseudo-random numbers - reveals their relation to the coordinate description of lattice points in two-dimensional primitive sublattices. Taking the index of the lattice-sublattice transformation as the modulus of the multiplicative congruential generator, there are special choices for its multiplier which induce a symmetry-preserving permutation of lattice-point coordinates. From an analysis of similar sublattices with hexagonal and square symmetry it is conjectured that the cycle structure of the permutation has its crystallographic counterpart in the description of crystallographic orbits. Some applications of multiplicative congruential generators in structural chemistry and biology are discussed.
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Title
Multiplicative congruential generators, their lattice structure, its relation to lattice-sublattice transformations and applications in crystallography
Author(s)
Hornfeck, W; Harbrecht, B
Journal
Acta Crystallographica Section A: Foundations of Crystallography , Volume 65 (6): 532 International Union of Crystallography – Oct 17, 2009
Publisher
International Union of Crystallography
Copyright
Copyright (c) 2009 International Union of Crystallography
Subject
multiplicative congruential generators, lattice-sublattice transformation, lattice points, crystallographic orbits
ISSN
0108-7673
eISSN
1600-5724
D.O.I.
10.1107/S0108767309037088
Publisher site
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