Write the atomic positions (coordinates) to the movie.xyz output file.


dump_position <interval> [{optional_args}]

The interval parameter is the output interval (number of steps) of the atom positions.

The optional arguments (<optional_args>) can be group or precision, which can be in any order.

The option group shoud have two parameters:

group <grouping_method> <group_id>

which means only dumping positions of atoms in group group_id within the grouping method grouping_method. If this option is not used, positions will be dumped for all the atoms.

The option precision should have one parameter which can only be single or double:

precision single # output data with %0.9f format
precision double # output data with %0.17f format

If this option is not used, data will be output with the %g format.


Example 1

To dump all the positions every 1000 steps for a run, one can add:

dump_position 1000

before the run keyword.

Example 2

Similar to the above example, but only for atoms in group 1 within grouping method 2:

dump_position 1000 group 2 1

Example 3

Similar to the above example, but using double precision:

dump_position 1000 group 2 1 precision double

or equivalently:

dump_position 1000 precision double group 2 1


This keyword is not propagating. That means, its effect will not be passed from one run to the next.

The output file has an appending behavior and will result in a single movie.xyz output file file no matter how many times the simulation is run.