16 lines
395 B
Markdown
16 lines
395 B
Markdown
### POD example for Ta
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We will fit a potential to the `Ta` training data in the `XYZ` directory, which houses `.xyz` files
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of the training data taken from [the FitSNAP repo](https://github.com/FitSNAP/FitSNAP/tree/master/examples/Ta_XYZ/XYZ)
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Fit POD with
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lmp -in in.fitpod
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This creates `Ta_coefficients.pod` for the linear model, which we can use to run MD with
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lmp -in in.pod
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