mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-25 13:53:49 +01:00
17 lines
363 B
Fortran
17 lines
363 B
Fortran
program cisd
|
|
implicit none
|
|
integer :: i
|
|
|
|
diag_algorithm = "Lapack"
|
|
touch diag_algorithm
|
|
print *, 'HF = ', HF_energy
|
|
print *, 'N_states = ', N_states
|
|
call H_apply_cisd
|
|
print *, 'N_det = ', N_det
|
|
do i = 1,N_states
|
|
print *, 'energy = ',CI_energy(i)
|
|
print *, 'E_corr = ',CI_electronic_energy(i) - ref_bitmask_energy
|
|
enddo
|
|
|
|
end
|