17 lines
400 B
Markdown
17 lines
400 B
Markdown
### POD example for InP
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We will fit a potential to the `InP` training data in the `XYZ` directory, which houses `.xyz` files
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Please download the training data from [the repo](https://github.com/cesmix-mit/pod-examples/tree/main/JCP2023_InP/XYZ)
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Fit POD with
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lmp -in in.fitpod
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This creates `InP_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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