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PCMChargeSmearNN

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PCMChargeSmearNN

Section Hamiltonian::PCM
Type integer
Default 2 * max_area * PCMSmearingFactor

Defines the number of nearest neighbor mesh-points to be taken around each cavity tessera in order to smear the charge when PCMCalcMethod = pcm_poisson. Setting PCMChargeSmearNN = 1 means first nearest neighbors, PCMChargeSmearNN = 2 second nearest neighbors, and so on. The default value is such that the neighbor mesh contains points in a radius equal to the width used for the gaussian smearing.

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