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lamp_mac/ATOMS/

cont2xdat.pro


top cont2xdat

result = cont2xdat(natoms, nstructures)

******** ********* ** User callable ** The call is e.g. w1=cont2xdat(natoms, nstructures) ** ** files read automatically are CONTCAR.i ** output will be an array of coords as when reading XDATCAR ** and a trajectory file for nMoldyn ** this function is paired with xdat2cont

Parameters

natoms
nstructures

File attributes

Modification date: Tue Oct 1 14:45:53 2013
Lines: 46