compute the fragment center-of-charge
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| class(fragment_type), | intent(in) | :: | this |
pure function fragment_center_of_charge(this) result(center_of_charge)
class(fragment_type), intent(in) :: this
real(dp), dimension(3) :: center_of_charge
center_of_charge = compute_center_of_charge(this%atoms)
end function fragment_center_of_charge