mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-09 06:53:38 +01:00
34 lines
1.7 KiB
Plaintext
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
|