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Elements

n_types -- integer

atomic_num -- integer, allocatable, dimension(:)

type_of_atomic_num -- integer, allocatable, dimension(:)

cutoff -- real(dp)

r_min -- real(dp), allocatable, dimension(:,:)

r_cut -- real(dp), allocatable, dimension(:,:)

spline_V -- real(dp), allocatable, dimension(:,:,:,:)

Cubic spline for interpolation between the mesh points.

spline_rho -- real(dp), allocatable, dimension(:,:,:)

Cubic spline for interpolation between the mesh points.

spline_F -- real(dp), allocatable, dimension(:,:,:)

Cubic spline for interpolation between the mesh points.

V -- type(Spline), allocatable, dimension(:,:)

rho -- type(Spline), allocatable, dimension(:)

F -- type(Spline), allocatable, dimension(:)

V_F_shift -- real(dp), allocatable, dimension(:)

label -- character(len=FIELD_LENGTH)

mpi -- type(mpi_context)

Initialise interface

gabor 2009-06-30