dump_force

Write the atomic forces to force.out output file.

Syntax

dump_force <interval> {<optional_args>}

The interval parameter is the output interval (number of steps) of the atom forces. At the moment, the optional arguments (optional_args) can only assume the value group. The option group shoud have two parameters:

group <grouping_method> <group_id>

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

Examples

Example 1

To dump all the forces every 10 steps for a run, one can add:

dump_force 10

before the run keyword.

Example 2

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

dump_force 10 group 2 1