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Memory efficent representation of Generalized Madelung matrix #3

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pmu2022 opened this issue Sep 14, 2021 · 0 comments
Open

Memory efficent representation of Generalized Madelung matrix #3

pmu2022 opened this issue Sep 14, 2021 · 0 comments
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enhancement New feature or request help wanted Extra attention is needed

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@pmu2022
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pmu2022 commented Sep 14, 2021

One problem is the memory efficient storage the generalized Madelung matrix, which is needed to solve the electrostatic problem. The generalized Madelung matrix is hypermatrix with the two lattice site dimensions, one l angular momentum and one m magnetic quantum number dimension. At the moment, this tensor is stored completely as four dimensional matrix. A transferable data structure for this problem would enable even non-spherical treatment of the potential.

@pmu2022 pmu2022 added enhancement New feature or request help wanted Extra attention is needed labels Sep 14, 2021
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Labels
enhancement New feature or request help wanted Extra attention is needed
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