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Electron density dictionary (rhoCIF) version 2.00.01 definitions
Definitions are arranged alphabetically by category and within category.- Category structure
- RHO_GROUP
- ATOM_LOCAL_AXES
- _atom_local_axes.atom0
- _atom_local_axes.atom1
- _atom_local_axes.atom2
- _atom_local_axes.atom_label
- _atom_local_axes.ax1
- _atom_local_axes.ax2
- ATOM_RHO_MULTIPOLE
- _atom_rho_multipole.atom_label
- _atom_rho_multipole.configuration
- _atom_rho_multipole.core_source
- _atom_rho_multipole.radial_function_type
- _atom_rho_multipole.scat_core
- _atom_rho_multipole.scat_core_table
- _atom_rho_multipole.scat_valence
- _atom_rho_multipole.scat_valence_table
- _atom_rho_multipole.valence_source
- ATOM_RHO_MULTIPOLE_COEFF
- _atom_rho_multipole_coeff.list
- _atom_rho_multipole_coeff.P00
- _atom_rho_multipole_coeff.P10
- _atom_rho_multipole_coeff.P11
- _atom_rho_multipole_coeff.P1_1
- _atom_rho_multipole_coeff.P20
- _atom_rho_multipole_coeff.P21
- _atom_rho_multipole_coeff.P22
- _atom_rho_multipole_coeff.P2_1
- _atom_rho_multipole_coeff.P2_2
- _atom_rho_multipole_coeff.P30
- _atom_rho_multipole_coeff.P31
- _atom_rho_multipole_coeff.P32
- _atom_rho_multipole_coeff.P33
- _atom_rho_multipole_coeff.P3_1
- _atom_rho_multipole_coeff.P3_2
- _atom_rho_multipole_coeff.P3_3
- _atom_rho_multipole_coeff.P40
- _atom_rho_multipole_coeff.P41
- _atom_rho_multipole_coeff.P42
- _atom_rho_multipole_coeff.P43
- _atom_rho_multipole_coeff.P44
- _atom_rho_multipole_coeff.P4_1
- _atom_rho_multipole_coeff.P4_2
- _atom_rho_multipole_coeff.P4_3
- _atom_rho_multipole_coeff.P4_4
- _atom_rho_multipole_coeff.Pc
- _atom_rho_multipole_coeff.Pv
- ATOM_RHO_MULTIPOLE_KAPPA
- _atom_rho_multipole_kappa.base
- _atom_rho_multipole_kappa.list
- _atom_rho_multipole_kappa.prime0
- _atom_rho_multipole_kappa.prime1
- _atom_rho_multipole_kappa.prime2
- _atom_rho_multipole_kappa.prime3
- _atom_rho_multipole_kappa.prime4
- ATOM_RHO_MULTIPOLE_RADIAL_SLATER
- _atom_rho_multipole_radial_slater.list
- _atom_rho_multipole_radial_slater.n0
- _atom_rho_multipole_radial_slater.n1
- _atom_rho_multipole_radial_slater.n2
- _atom_rho_multipole_radial_slater.n3
- _atom_rho_multipole_radial_slater.zeta0
- _atom_rho_multipole_radial_slater.zeta1
- _atom_rho_multipole_radial_slater.zeta2
- _atom_rho_multipole_radial_slater.zeta3
- ATOM_SITE