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add deposition#1603

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tang070205 wants to merge 11 commits into
brucefan1983:masterfrom
tang070205:20260512-deposition
Draft

add deposition#1603
tang070205 wants to merge 11 commits into
brucefan1983:masterfrom
tang070205:20260512-deposition

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@tang070205

@tang070205 tang070205 commented Jul 9, 2026

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Summary
Feature for Add deposit atoms

Modification
using method:
deposit <interval> <direction> <height_min> [height_max] atom <type1> <num1> <velocity1> [<type2> num2> <velocity2>...]

The contents of run.in will be reused in a loop.
If you're going to perform a deposition, it's best to have only one ensemble and run.

example:
IMG_20260710_163636.png

This specifies that deposition every 10000 steps, add five atoms with potential file index 0 within the 60–70 Å range in the z-direction, the magnitude of the velocity is 0.5 Å/fs, in the negative z-direction.

@tang070205 tang070205 changed the title 20260512 deposition add deposition Jul 9, 2026
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