Electrostatic correction of Makov-Payne type #7354
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…or-cubic-systems Implement Makov–Payne isolated-cell correction and input option
…rs-in-elecstate_energy Fix elecstate energy unit test link dependencies
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With the help of codex, I have included the correction of Markov-Payne type for non-neutral isolated system. One can activate this function with
assume_isolated mpand by default it is setnone.Note: this will only work with cubic system so far and we need to specify the lattice type using something like
latname sc. This has been tested on LiH with fractional charge.Further implementation on Martyna-Tuckerman type would be nice to have, which does not have such limitation.