mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-09-01 21:53:40 +02:00
14 lines
200 B
Fortran
14 lines
200 B
Fortran
|
program cas_complete
|
||
|
implicit none
|
||
|
BEGIN_DOC
|
||
|
! Diagonalizes the Hamiltonian in the complete active space
|
||
|
END_DOC
|
||
|
|
||
|
call generate_cas_space
|
||
|
call diagonalize_ci
|
||
|
call save_wavefunction
|
||
|
|
||
|
end
|
||
|
|
||
|
|