compute the fragment centroid
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
class(fragment_type), | intent(in) | :: | this |
pure function fragment_centroid(this) result(centroid)
class(fragment_type), intent(in) :: this
real(dp), dimension(3) :: centroid
centroid = compute_centroid(this%atoms)
end function fragment_centroid