The LAMP Application

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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