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Elements

n_types -- integer

label -- character(len=FIELD_LENGTH)

cutoff, default_fermi_E, default_fermi_T -- real(dp)

default_band_width, default_k_density -- real(dp)

is_orthogonal, has_default_fermi_E -- logical

has_default_fermi_T, has_default_band_width -- logical

has_default_k_density -- logical

type_of_atomic_num -- integer, allocatable, dimension(:)

n_orbs -- integer, allocatable, dimension(:)

n_elecs -- integer, allocatable, dimension(:)

n_orb_sets -- integer, allocatable, dimension(:)

orb_set_type -- integer, allocatable, dimension(:,:)

atomic_num -- integer, allocatable, dimension(:)

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

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

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

H_spline -- type(spline), allocatable, dimension(:,:,:)

S_spline -- type(spline), allocatable, dimension(:,:,:)

Vrep_spline -- type(spline), allocatable, dimension(:,:)

Initialise interface

gabor 2009-06-30