Join GitHub today
GitHub is home to over 31 million developers working together to host and review code, manage projects, and build software together.Sign up
Bfo spin #1355
The changes are correcting a confusion between i and ii atom lists in the compute_single_pair functions, in the SPIN package.
Incorrect values for pair_spin interactions when multiple similar spin pairs were declared.
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).
No backward compatibility for inputs.
The corrections are only affecting a small portion of the code (the beginning of the compute_single_pair functions).
Post Submission Checklist
Further Information, Files, and Links
This work was done by Julien Tranchida during a stay at CEA in France, on his host's computer.