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[Feature Request] Long-range point-dipole solver #70
LAMMPS has an Ewald-based long-range dipole solver, but not a more efficient PPPM version. With increasing support for more complex force fields and interest in point dipole polarizable force field, this option would be required for simulating larger systems efficiently.
I have a branch of the unfinished code here: https://github.com/stanmoore1/lammps/tree/pppm_dipole. It still needs some work.
changed the title from
Long-range point-dipole solver
[Feature Request] Long-range point-dipole solver
Mar 20, 2018
The code in https://github.com/stanmoore1/lammps/tree/spin_pppm now works correctly for point dipoles (as far as I can tell). Charge-dipole interactions haven't been implemented yet, and will probably have to wait for a while. I need to clean up/refactor the code to a state that could be merged into LAMMPS.