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Example usage #6

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similt opened this issue Aug 24, 2022 · 1 comment
Open

Example usage #6

similt opened this issue Aug 24, 2022 · 1 comment

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@similt
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similt commented Aug 24, 2022

Thank you for sharing the code. Would it possible to have an example illustration for this program?
@cagrikymk
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Hello @similt,
The code is compatible with the input files (parameter file, trainset.in and geo file) that other optimizers for ReaxFF use. You can see the example of the input files under "Datasets" folder. Also more information is provided in the readme file.

Could you provide more details about you need? I would be happy to create more examples to help people use the the tool.

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@similt @cagrikymk