deepmodeling / deepmodeling/deepmd-kit

[feature request] Usage of `sel` when restarting from previous frozen model

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#3,939 2 comments 0 reactions 2 assignees Claimed by @iProzd View on GitHub
enhancement
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Description

### Discussed in https://github.com/deepmodeling/deepmd-kit/discussions/3935

Originally posted by **francescomambretti** July 1, 2024
Dear all, I have a question concerning the usage of `sel` parameter. Let's say that I have a model 1, as a result of training on a given dataset. This model has a given value for `sel`. Let us suppose that I want to train a model 2, starting from the frozen model 1 using the keyword `--init-frz-model`, where the dataset now contains a new set of configurations which require a different (larger) value of `sel`, at least for some chemical elements of the system. Is it possible to use a new value for `sel` while restarting from model 1, or do I have to train from scratch on the new dataset (containing all the configurations) using the larger `sel`? Thanks!

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