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Searched refs:nuclear_model (Results 1 – 1 of 1) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/
H A Dmole.py794 if nuclear_model == NUC_POINT:
796 elif nuclear_model == NUC_GAUSS:
799 zeta = nuclear_model(nuc_charge, nucprop)
800 nuclear_model = NUC_GAUSS
806 _atm[NUC_MOD_OF] = nuclear_model
879 nuclear_model = NUC_POINT
882 nuclear_model = NUC_POINT
884 nuclear_model = _parse_nuc_mod(nucmod)
886 nuclear_model = _parse_nuc_mod(nucmod[ia+1])
888 nuclear_model = _parse_nuc_mod(nucmod[symb])
[all …]