F. Hedman and A. Laaksonen, Molecular Simulation 14 (1995) 235-244. Home/Search Document Not in Database Summary Related Articles |
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A Domain Decomposition Parallel Processing Algorithm for.. - Brown, Minoux, Maigret (1997) (9 citations) (Correct)
....form, as applicable to molecular systems, has been given before [70] and we do not reproduce it here. The summation in reciprocal space can be factorized into sums only dependent on particle positions. Thus its calculation within the domain decomposition framework follows very straightforwardly [71]; for each reciprocal space vector included in the summation, each processor first performs the necessary sum on the particles it is responsible for and then standard calls to global summation routines calculate the overall total and return the result to each PE so as to allow the calculation of ....
F. Hedman and A. Laaksonen, Molecular Simulation 14 (1995) 235-244.
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