as #8 which computes amd, but compute SOAP #9

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sbillinge opened this issue May 2, 2025 · 0 comments

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sbillinge commented May 2, 2025

Problem

SOAP representation builder

Proposed solution

have it take an ASE streucture object and return a SOAP object (I guess there is such a thing)

This one should probably be done before #8 as we don't need a structure object adapter.

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