mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-18 10:35:17 +02:00
22 lines
503 B
Fortran
22 lines
503 B
Fortran
program projected_operators
|
|
implicit none
|
|
BEGIN_DOC
|
|
! TODO
|
|
END_DOC
|
|
read_wf = .True.
|
|
touch read_wf
|
|
! You specify that you want to avoid any contribution from
|
|
! orbitals coming from core
|
|
no_core_density = .True.
|
|
touch no_core_density
|
|
mu_of_r_potential = "cas_ful"
|
|
touch mu_of_r_potential
|
|
print*,'Using Valence Only functions'
|
|
! call test_f_HF_valence_ab
|
|
! call routine_full_mos
|
|
! call test_f_ii_valence_ab
|
|
call test_f_ia_valence_ab
|
|
call test_f_ii_ia_aa_valence_ab
|
|
end
|
|
|