forked from lijiext/lammps
97baee4931
- modified energy/torque tolerance for faster convergence in examples/SPIN/gneb/skyrmion/in.gneb.skyrmion |
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iron | ||
skyrmion | ||
README |
README
Perform geodesic NEB calculations for spin configurations. The two examples are: - the magnetic switching of an iron nanoisland - the collapse of a magnetic skyrmion Run those examples as: mpirun -np 3 lmp_mpi -in in.gneb.iron -partition 3x1 You should be able to use any number of replicas >= 3. In the interpolate/ directory, a c routine is provided to interpolate the MEP.