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lammps/examples/SPIN/gneb
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julient31 7c3f619e13 Commit JT 042519 
- moved examples/SPIN/gneb/interpolate/ toward
tools/spin/interpolate/gneb
- added gneb in the command files in doc/src
- modified the error messages in neb_spin.h/cpp
 		2019-04-25 09:18:33 -06:00
..
iron Commit JT 040519 2019-04-05 13:22:46 -06:00
skyrmion Commit JT 040519 2019-04-05 13:22:46 -06:00
README Commit3 JT 040819 2019-04-08 11:22:02 -06:00

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.