Interface setup_parallel

Set up what you need for parallel calculation

this -- type(Potential), intent(inout)

at -- type(Atoms), intent(inout)

The atoms structure to compute energy and forces

e -- real(dp), intent(out), optional

Total energy

local_e -- real(dp), intent(out), optional, dimension(:)

Energy per atom

f -- real(dp), intent(out), optional, dimension(:,:)

Forces, dimensioned (3,at%N)

virial -- real(dp), intent(out), optional, dimension(3,3)

Virial

args_str -- character(len=*), intent(in), optional

Potential_Initialise_filename subroutine