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Volumn 129, Issue 23, 2008, Pages

P3M algorithm for dipolar interactions

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY VALUE PROBLEMS;

EID: 57849117424     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3000389     Document Type: Article
Times cited : (102)

References (42)
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    • When meshes with number of points per direction NM = 2n are used to perform FFTs, the reciprocal mesh M̃ 3 is asymmetric (the number of points along the positive axis, and the number along the negative axis differ by 1). The use of asymmetric lattices, for instance, introduces systematic biases in the forces [see expression for the mean value of the forces in the reciprocal space, Eq.] which has to be corrected by adding extra terms. In this paper the results are derived assuming the use of symmetric lattices. We use NM = 2n meshes in which the reciprocal mesh M̃ has been symmetrized by disregarding the contributions from the k -vector value without counterpart.
    • When meshes with number of points per direction NM = 2n are used to perform FFTs, the reciprocal mesh M̃ 3 is asymmetric (the number of points along the positive axis, and the number along the negative axis differ by 1). The use of asymmetric lattices, for instance, introduces systematic biases in the forces [see expression for the mean value of the forces in the reciprocal space, Eq.] which has to be corrected by adding extra terms. In this paper the results are derived assuming the use of symmetric lattices. We use NM = 2n meshes in which the reciprocal mesh M̃ has been symmetrized by disregarding the contributions from the k -vector value without counterpart.
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