9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-06 16:15:57 +02:00
qp2/plugins/local/cipsi_tc_bi_ortho/pouet

34 lines
1.7 KiB
Plaintext

if(dabs(psi_h_alpha*alpha_h_psi - psi_h_alpha_tmp*alpha_h_psi_tmp).gt.1.d-10)then
!!! print*,'---'
!!! print*,psi_h_alpha *alpha_h_psi, psi_h_alpha, alpha_h_psi
!!! print*,psi_h_alpha_tmp*alpha_h_psi_tmp,psi_h_alpha_tmp,alpha_h_psi_tmp
call debug_det(det,N_int)
print*,dabs(psi_h_alpha*alpha_h_psi - psi_h_alpha_tmp*alpha_h_psi_tmp),psi_h_alpha *alpha_h_psi,psi_h_alpha_tmp*alpha_h_psi_tmp
print*,'-- Good '
print*, psi_h_alpha, alpha_h_psi
print*,'-- bad '
print*,psi_h_alpha_tmp,alpha_h_psi_tmp
print*,'-- details good'
double precision :: accu_1, accu_2
accu_1 = 0.d0
accu_2 = 0.d0
do iii = 1, N_det
call get_excitation_degree( psi_det(1,1,iii), det, degree, N_int)
call htilde_mu_mat_bi_ortho_tot(psi_det(1,1,iii), det, N_int, i_h_alpha)
call htilde_mu_mat_bi_ortho_tot(det, psi_det(1,1,iii), N_int, alpha_h_i)
print*,iii,degree,i_h_alpha,alpha_h_i
accu_1 += i_h_alpha
accu_2 += alpha_h_i
print*,accu_1,accu_2
enddo
!!! if(dabs(psi_h_alpha*alpha_h_psi).gt.1.d-10)then
!!! print*,p1,p2
!!! print*,det(1,1), det(1,2)
!!! call debug_det(det,N_int)
!!! print*,psi_h_alpha *alpha_h_psi, psi_h_alpha, alpha_h_psi
!!! print*,psi_h_alpha_tmp*alpha_h_psi_tmp,psi_h_alpha_tmp,alpha_h_psi_tmp
!!! print*, dabs(psi_h_alpha*alpha_h_psi - psi_h_alpha_tmp*alpha_h_psi_tmp),&
!!! psi_h_alpha *alpha_h_psi,psi_h_alpha_tmp*alpha_h_psi_tmp