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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)

Cutoff for computing connection.

j_max -- integer

z0 -- real(dp)

datafile -- character(len=256)

File name containing the GAP database

label -- character(len=FIELD_LENGTH)

mpi -- type(mpi_context)

my_gp -- type(gp)

Initialise interface

gabor 2009-06-30