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The MOVIE format

Besides the TRAJECTORY file CPMD also produces a specialy formated trajectory in the MOVIE file. This file contains the position of all atoms of the system in Angstrom units at a rather low precision ($ 10^{-4}$). The sampling of the positions can be done independently from the trajectory file. The sets of coordinates are follwoing each other contigously. The format of each line is

x-coordinate, y-coordinate, z-coordinate, atomic number, type .




2006-03-29 cpmd@cpmd.org