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Add efield #662

Merged
merged 3 commits into from
Jul 3, 2024
Merged

Add efield #662

merged 3 commits into from
Jul 3, 2024

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brucefan1983
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@brucefan1983 brucefan1983 commented Jun 30, 2024

To solve #602

  • Usage 1:
add_efield <group_method> <group_id> <Ex> <Ey> <Ez>

This will add force $q_i \mathbf{E}$ (with components Ex, Ey, and Ez, in units of elementary charge $e$) to a group of atoms.

  • Usage 2:
add_force <group_method> <group_id> <add_efield_file>

add_efield_file format:

<number_of_steps>
Ex_0 Ey_0 Ez_0
Ex_1 Ey_1 Ez_1
Ex_2 Ey_2 Ez_2
Ex_3 Ey_3 Ez_3

The electric fields in the file will be used repeatedly during the run.

  • This keyword can be used more than once within a run.

@brucefan1983 brucefan1983 merged commit 7998fcc into master Jul 3, 2024
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@brucefan1983 brucefan1983 deleted the add_efield branch July 3, 2024 15:26
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