Psience.Data
Provides core Data-related types and data structures.
Intended to be high-level data as opposed to the lower-level stuff in McUtils.Data
.
That means including stuff like dipole and potential energy surfaces that know how to compute their own properties.
Currently…well that’s all we have. But wrappers for commonly-used potentials & bases could well come.
Not sure at this point, though.
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