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Added self-consistent dipole corrections for slab/2D systems#3260

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afarahva:pbc_slab_dipole
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Added self-consistent dipole corrections for slab/2D systems#3260
afarahva wants to merge 2 commits into
pyscf:masterfrom
afarahva:pbc_slab_dipole

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This PR adds self-consistent dipole corrections for slab/2D systems. Effectively implementing the equivalent of LDIPOL/IDIPOL in VASP. I included a unit test and an example for completeness.

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