10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-12 14:14:43 +02:00
QuantumPackage/src/utils_cc/org/energy.org

16 lines
279 B
Org Mode
Raw Normal View History

2023-03-13 09:38:35 +01:00
#+begin_src f90 :comments org :tangle energy.irp.f
subroutine det_energy(det,energy)
implicit none
integer(bit_kind), intent(in) :: det
double precision, intent(out) :: energy
call i_H_j(det,det,N_int,energy)
energy = energy + nuclear_repulsion
end
#+end_src