Elements

n_types -- integer

label -- character(len=FIELD_LENGTH)

cutoff, cutoff_H, tailx0, default_fermi_E -- real(dp)

default_fermi_T, default_band_width -- real(dp)

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_orb_sets -- integer, allocatable, dimension(:)

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

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

atomic_num -- integer, allocatable, dimension(:)

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

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

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

deltatau0 -- real(dp), allocatable, dimension(:,:,:)

r0 -- real(dp), allocatable, dimension(:,:)

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

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

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

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

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

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

lambda0 -- real(dp), allocatable, dimension(:)

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

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

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

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

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

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

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

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

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

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

Initialise interface