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Layer-by-layer optimization steps #134

@Y-j-j-creal

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@Y-j-j-creal

I currently have a fixed rcsf.inp file. Because it has a large number of optimized orbitals, optimizing all grid points at once would be insufficient (without changing the grid points). How can I perform layer-by-layer optimization of its orbitals, such as (1s-9s)?

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