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Per-material input features #171

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tawe141 opened this issue Nov 25, 2024 · 1 comment

tawe141 commented Nov 25, 2024

Is there a way to add a global input feature, ie one that is per-material but not per-atom?

tawe141 changed the title ~~Global input features~~ Per-material input features

Collaborator

knc6 commented Nov 26, 2024

I am still testing it, but check out this additional output example

https://github.com/usnistgov/alignn/blob/develop/alignn/examples/sample_data_ff_additional/config.json#L80

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