brucefan1983 / GPUMD

Graphics Processing Units Molecular Dynamics
https://gpumd.org/dev
GNU General Public License v3.0
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Add force #658

Closed brucefan1983 closed 3 months ago

brucefan1983 commented 3 months ago
add_force <group_method> <group_id> <fx> <fy> <fz>

This will add constant force with components fx, fy, and fz to a group of atoms.

add_force <group_method> <group_id> <add_force_file>

add_force_file format:

<number_of_steps>
fx_0 fy_0 fz_0
fx_1 fy_1 fz_1
fx_2 fy_2 fz_2
fx_3 fy_3 fz_3

The forces in the file will be used repeatedly during the run.