radfunc_t Derived Type

type, public :: radfunc_t


Contents

Variables

Source Code

radfunc_t

Components

Type Visibility Attributes Name Initial
type(Grid), public :: grid
real(kind=dp), public, dimension(:), pointer :: data => null()
logical, public :: has_coulomb_tail
real(kind=dp), public :: tail_factor = 0.0_dp
integer, public :: nnz
real(kind=dp), public :: rcut_eff

Source Code

type, public :: radfunc_t
      type(Grid)                              :: grid
      real(kind=dp), dimension(:), pointer    :: data => null()
      logical                                 :: has_coulomb_tail
      real(dp)                                :: tail_factor = 0.0_dp
      integer                                 :: nnz ! # of 'non-zero' values
      real(dp)                                :: rcut_eff ! effective end of range
 
end type radfunc_t