rrgen Subroutine

public subroutine rrgen(bv1, lsurf, rr, nrd)

Generates a number of real space vectors to construct the clusters representing the local surrounding of the atoms

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: bv1(3,3)
logical, intent(in) :: lsurf
real(kind=dp), intent(out) :: rr(3,0:nrd)
integer, intent(inout) :: nrd