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The Geometry of Niggli Reduction II: BGAOL -- Embedding Niggli Reduction

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arxiv 1305.6561 v1 pith:6HB5XVIZ submitted 2013-05-28 cond-mat.mtrl-sci

classification cond-mat.mtrl-sci
keywords bgaolnigglireductionspacebravaiscellsdeterminationembedding
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Niggli reduction can be viewed as a series of operations in a six-dimensional space derived from the metric tensor. An implicit embedding of the space of Niggli-reduced cells in a higher dimensional space to facilitate calculation of distances between cells is described. This distance metric is used to create a program, BGAOL, for Bravais lattice determination. Results from BGAOL are compared to the results from other metric-based Bravais lattice determination algorithms.

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