Elements

initialised, cells_initialised, too_few_cells_warning_issued -- logical

cellsNa -- integer

no. of cells in the lattice directions

cellsNb, cellsNc -- integer

neighbour1 -- type(table_pointer), allocatable, dimension(:)

Neighbour information for pairs $i <= j$. Contains full details of $j$, $r_{ij}$ and shift.

neighbour2 -- type(table_pointer), allocatable, dimension(:)

Neighbour information for pairs $i > j$. Simply contains $j$ and a reference to $j$'s neighbour1 table.

cell -- type(table), allocatable, dimension(:,:,:)

For the linear scaling connection calculator

Atoms type