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quantum_package/src/DensityFit/aux_basis.ezfio_config

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2015-05-21 10:15:13 +02:00
aux_basis
aux_basis_num integer
aux_basis_num_sqrt integer
aux_basis_idx integer (2,aux_basis_aux_basis_num)
aux_basis_prim_num integer (aux_basis_aux_basis_num_sqrt)
aux_basis_nucl integer (aux_basis_aux_basis_num_sqrt)
aux_basis_power integer (aux_basis_aux_basis_num_sqrt,3)
aux_basis_prim_num_max integer = maxval(aux_basis_aux_basis_prim_num)
aux_basis_coef double precision (aux_basis_aux_basis_num_sqrt,aux_basis_aux_basis_prim_num_max)
aux_basis_expo double precision (aux_basis_aux_basis_num_sqrt,aux_basis_aux_basis_prim_num_max)