lamp_mac/ATOMS/
global_motion.pro
top global_motion
result = global_motion(w_in, atom_first, atom_last)
******* ************* ** User callable ** function to read a workspace from xdatcar in continuous fractional coords ** ** use the atoms between first and last to determine the coordinate translation for all atoms ** ** so that the average coordinate of the selected atoms is unchanged
Parameters
- w_in
- atom_first
- atom_last
File attributes
Modification date: | Tue Oct 1 14:45:53 2013 |
Lines: | 58 |