Gaussian nuclear model with fractional charges #92
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Possibility of using fractional charges with gaussian nuclear model at the same time (new NUC_MOD_OF). To choose between the different cases, a bitmask has been implemented using the last bit of
atm(NUC_MOD_OF, nuc_id)-1from a given atom.GAUSSIAN_NUCandFRAC_GAUSS_NUC.FRAC_CHARGE_NUCandFRAC_GAUSS_NUC.