The LAMP Application

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lamp_mac/ATOMS/

atom_dist.pro


top atom_dist

result = atom_dist(w_in, atom_1, atom_2)

******* ********* ** from VASP MD frames saved in a workspace, calculate ** the distance between atom_1 and atom_2 ** requires w_in in REAL coordinates eg w_in = xdatcar(/real) ** JDF 19/7/2010

Parameters

w_in
atom_1
atom_2

File attributes

Modification date: Tue Oct 1 14:45:53 2013
Lines: 30