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Elements

n_types -- integer

Number of atomic types

atomic_num -- integer, allocatable, dimension(:)

Atomic number dimensioned as n_types

type_of_atomic_num -- integer, allocatable, dimension(:)

Atomic number dimensioned as n_types

cutoff -- real(dp)

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

IP parameters

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

IP parameters

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

IP parameters

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

IP parameters

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

IP parameters

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

IP parameters

eps2 -- real(dp), allocatable, dimension(:,:)

IP parameters

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

IP parameters

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

IP parameters

eps3 -- real(dp), allocatable, dimension(:,:,:)

IP parameters

label -- character(len=FIELD_LENGTH)

mpi -- type(mpi_context)

Initialise interface

gabor 2009-06-30