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Add force #658

Merged
merged 4 commits into from
Jun 30, 2024
Merged

Add force #658

merged 4 commits into from
Jun 30, 2024

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brucefan1983
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@brucefan1983 brucefan1983 commented Jun 27, 2024

  • Usage 1:
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.

  • Usage 2:
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.

  • This is the first keyword in GPUMD that can be used more than once within a run.

@brucefan1983 brucefan1983 merged commit 468c5a2 into master Jun 30, 2024
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@brucefan1983 brucefan1983 deleted the add_force branch June 30, 2024 07:59
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