diff --git a/cif_rho.dic b/cif_rho.dic index 9f427db..114ea82 100644 --- a/cif_rho.dic +++ b/cif_rho.dic @@ -13,7 +13,7 @@ data_CIF_RHO _dictionary.title CIF_RHO _dictionary.class Instance _dictionary.version 2.0.3 - _dictionary.date 2024-04-02 + _dictionary.date 2024-04-23 _dictionary.uri ;\ https://raw.githubusercontent.com/COMCIFS/Electron_Density_\ @@ -1875,7 +1875,11 @@ save_ATOM_RHO_MULTIPOLE_RADIAL_SLATER _definition.update 2024-04-02 _description.text ; - Category defining multipole population coefficients P(l,m). + Category containing the terms of a Slater-type function representation + of the radial dependence of the electron density, R(kappa'(l),l,r), + according to the formalism of Hansen & Coppens (1978), equation (3). + + Ref: Hansen, N. K. & Coppens, P. (1978). Acta Cryst. A34, 909-921. ; _name.category_id ATOM_RHO_MULTIPOLE _name.object_id ATOM_RHO_MULTIPOLE_RADIAL_SLATER @@ -1889,7 +1893,7 @@ save_atom_rho_multipole_radial_slater.atom_label _definition.update 2024-04-02 _description.text ; - An atom site label that serves as the ATOM_RHO_MULTIPOLE_RADIAL_SLATE + An atom site label that serves as the ATOM_RHO_MULTIPOLE_RADIAL_SLATER category key. It should only be used when items from the ATOM_RHO_MULTIPOLE_RADIAL_SLATER and ATOM_RHO_MULTIPOLE categories are looped in separate lists. @@ -2248,7 +2252,7 @@ save_ ; Update import statements, improve DDLm conformance. ; - 2.0.3 2024-04-02 + 2.0.3 2024-04-23 ; Further improve DDLm conformance. Add missing su data names.