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spirit-code / spirit

Atomistic Spin Simulation Framework
http://spirit-code.github.io
MIT License
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Core: need better dipole-dipole interaction (DDI) implementation #441

Closed GPMueller closed 5 years ago

GPMueller commented 6 years ago

@MSallermann is working on an FFT-based DDI implementation. Potentially, for more general cases (irregular distributions of atoms), FMM might be implemented as well.

An option to select the DDI implementation needs to be added to input/options for the Heisenberg Hamiltonian. For generality, the default should be FMM (if/when implemented). Potentially, an "auto" type would make sense, which chooses the implementation based on boundary conditions and geometry information (e.g. small number of basis cells relative to total number of atoms).

GPMueller commented 5 years ago

The corresponding PR #446 containing FFT convolutions for DDI has been merged with bf6a6882e48eada3b6a595e1a09794ce2b0028a8.