compute quantum-fragment center-of-mass
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| class(quantum_fragment_type), | intent(in) | :: | this |
pure function quantum_fragment_center_of_mass(this) result(center_of_mass)
class(quantum_fragment_type), intent(in) :: this
real(dp), dimension(3) :: center_of_mass
center_of_mass = compute_center_of_mass(this%nuclei)
end function quantum_fragment_center_of_mass