(git:c5411e0)
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quantities needed for a Hirshfeld based partitioning of real space More...
Data Fields | |
logical | iterative |
logical | use_bohr |
integer | shape_function_type |
integer | ref_charge |
integer | radius_type |
type(shape_fn), dimension(:), pointer | kind_shape_fn |
real(kind=dp), dimension(:), pointer | charges |
type(pw_r3d_rs_type), pointer | fnorm |
quantities needed for a Hirshfeld based partitioning of real space
Definition at line 36 of file hirshfeld_types.F.
logical hirshfeld_types::hirshfeld_type::iterative |
Definition at line 37 of file hirshfeld_types.F.
logical hirshfeld_types::hirshfeld_type::use_bohr |
Definition at line 37 of file hirshfeld_types.F.
integer hirshfeld_types::hirshfeld_type::shape_function_type |
Definition at line 39 of file hirshfeld_types.F.
integer hirshfeld_types::hirshfeld_type::ref_charge |
Definition at line 40 of file hirshfeld_types.F.
integer hirshfeld_types::hirshfeld_type::radius_type |
Definition at line 40 of file hirshfeld_types.F.
type(shape_fn), dimension(:), pointer hirshfeld_types::hirshfeld_type::kind_shape_fn |
Definition at line 42 of file hirshfeld_types.F.
real(kind=dp), dimension(:), pointer hirshfeld_types::hirshfeld_type::charges |
Definition at line 44 of file hirshfeld_types.F.
type(pw_r3d_rs_type), pointer hirshfeld_types::hirshfeld_type::fnorm |
Definition at line 46 of file hirshfeld_types.F.