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Collate functions for automatically finding/build node information. #88

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lubbersnick opened this issue Aug 14, 2024 · 0 comments
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enhancement New feature or request

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@lubbersnick
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Right now there are functions for finding/making different node types in different places, such as acquire_padding_encoding, batch geometry optimizers, ase setup, lammps setup. Some parts of these functionalities are really independent of those contexts and it would serve us to collect these things into place. For example, finding an energy node to use.

Relatedly we could benefit to write a parent expansion method that simply searches the current nodes for a spec, and adds that as another parent.

@lubbersnick lubbersnick added the enhancement New feature or request label Aug 14, 2024
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