mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-13 23:23:31 +01:00
introduced TODO comments in TC
This commit is contained in:
parent
099645e3fb
commit
72daa98fa3
@ -520,6 +520,7 @@ compute_singles=.True.
|
||||
ASSERT (lrow <= N_det_alpha_unique)
|
||||
|
||||
tmp_det2(1:$N_int,1) = psi_det_alpha_unique(1:$N_int, lrow)
|
||||
! TODO: i_htc "optimized" for normal ordering for single/double by spin
|
||||
! call i_h_j_single_spin( tmp_det, tmp_det2, $N_int, 1, hij)
|
||||
if(do_right)then
|
||||
call htilde_mu_mat_opt_bi_ortho_tot(tmp_det,tmp_det2,$N_int,hij)
|
||||
|
@ -230,6 +230,7 @@ end
|
||||
|
||||
allocate(H_jj(N_det),vec_tmp(N_det,n_states_diag))
|
||||
|
||||
! TODO : OPEN-MP
|
||||
do i = 1, N_det
|
||||
call htilde_mu_mat_opt_bi_ortho_tot(psi_det(1,1,i), psi_det(1,1,i), N_int, H_jj(i))
|
||||
enddo
|
||||
@ -277,7 +278,6 @@ end
|
||||
do istate = N_states+1, n_states_diag
|
||||
vec_tmp(istate,istate) = 1.d0
|
||||
enddo
|
||||
!call davidson_general_ext_rout_nonsym_b1space(vec_tmp, H_jj, eigval_right_tc_bi_orth, N_det, n_states, n_states_diag, converged, H_tc_u_0_opt)
|
||||
converged = .False.
|
||||
i_it = 0
|
||||
do while (.not. converged)
|
||||
@ -364,6 +364,7 @@ subroutine bi_normalize(u_l, u_r, n, ld, nstates)
|
||||
|
||||
!!!! Normalization of right eigenvectors |Phi>
|
||||
accu = 0.d0
|
||||
! TODO: dot product lapack
|
||||
do j = 1, n
|
||||
accu += u_r(j,i) * u_r(j,i)
|
||||
enddo
|
||||
|
Loading…
Reference in New Issue
Block a user