Join GitHub today
GitHub is home to over 36 million developers working together to host and review code, manage projects, and build software together.Sign up
Adding PPPM and Ewald solvers for electric dipoles and magnetic spins #1469
The PR adds two solvers, PPPM and Ewald sums, for long-range dipole-dipole interactions. Those solvers apply to electric dipoles and magnetic spins.
Examples were provided in: examples/SPIN/dipole_spin/
This PR is an improvement of the KSPACE and SPIN packages.
By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).
The results were checked by comparison to the ewald/disp method for dipoles.
Post Submission Checklist
Further Information, Files, and Links