forked from lijiext/lammps
a0c51b40b9
- renaming validation directory |
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|---|---|---|
| .. | ||
| bfo | ||
| cobalt_fcc | ||
| cobalt_hcp | ||
| dipole_spin | ||
| gneb | ||
| iron | ||
| nickel | ||
| read_restart | ||
| setforce_spin | ||
| spinmin | ||
| test_problems | ||
| vmd | ||
| README | ||
README
This directory contains examples and applications of the SPIN package ===================================================================== - the benchmark directory provides comparison between LAMMPS results and a series of simple test problems (coded as python scripts). - the iron, cobalt_hcp, cobalt_fcc and nickel directories provide examples of spin-lattice calculations. - the bfo repository provides an example of spin dynamics calculation performed on a fixed lattice, and applied to the multiferroic material bismuth-oxide. - the read_restart directory provides examples allowing to write or read data files, and restart magneto-mechanical simulations. - vizualization of the dump files can be achieved using Ovito or VMD. See the vmd repository for help vizualizing results with VMD. ** Note, the aim of this repository is mainly to provide users with examples. Better values and tuning of the magnetic and mechanical interactions can (have to...) be achieved for more accurate materials simulations. **