Interface initialise

Initialise an Atoms object to store N atoms and specify the initial lattice.

Initialise a Connection object for a given number of atoms N. If the optional Atoms argument is present then we calculate the atomic density to initialise the default lengths of the neighbour list for efficient memory usage.

this -- intent(inout), type(Atoms) or type(Connection)

N -- integer, intent(in)

lattice -- real(dp), intent(in), optional, dimension(3,3)

data -- type(Table), optional, intent(in)

properties, params -- type(Dictionary), optional, intent(in)

pos -- real(dp), optional, intent(in), dimension(:,:)

g -- real(dp), optional, intent(in), dimension(3,3)

cutoff -- real(dp), optional, intent(in)

use_uniform_cutoff -- logical, optional, intent(in)

origin -- real(dp), optional, intent(in), dimension(3)

extent -- real(dp), optional, intent(in), dimension(3,3)

finalise interface