mirror of
https://gitlab.com/scemama/qp_plugins_scemama.git
synced 2024-12-22 20:34:05 +01:00
13 lines
246 B
Forth
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
|