1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-11-07 14:43:41 +01:00
qp_plugins_scemama/devel/ccsd_gpu/energy.irp.f
2023-08-04 16:54:48 +02:00

13 lines
246 B
Forth

subroutine det_energy(det,energy)
implicit none
integer(bit_kind), intent(in) :: det
double precision, intent(out) :: energy
double precision, external :: diag_H_mat_elem
energy = diag_H_mat_elem(det,N_int) + nuclear_repulsion
end