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Removed test code.
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@ -112,8 +112,8 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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double precision, allocatable :: U(:,:), U_csf(:,:), overlap(:,:)
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double precision, allocatable :: tmpU(:,:), tmpW(:,:)
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double precision, pointer :: W(:,:), W_csf(:,:)
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double precision, pointer :: W2(:,:), W_csf2(:,:)
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double precision, allocatable :: U2(:,:), U_csf2(:,:)
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!double precision, pointer :: W2(:,:), W_csf2(:,:)
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!double precision, allocatable :: U2(:,:), U_csf2(:,:)
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logical :: disk_based
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double precision :: energy_shift(N_st_diag_in*davidson_sze_max)
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@ -236,15 +236,15 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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call c_f_pointer(ptr_w, W_csf, (/sze_csf,N_st_diag*itermax/))
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else
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allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax))
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allocate(W2(sze,N_st_diag),W_csf2(sze_csf,N_st_diag*itermax))
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!allocate(W2(sze,N_st_diag),W_csf2(sze_csf,N_st_diag*itermax))
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endif
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allocate( &
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! Large
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U(sze,N_st_diag), &
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U2(sze,N_st_diag), &
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!U2(sze,N_st_diag), &
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U_csf(sze_csf,N_st_diag*itermax), &
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U_csf2(sze_csf,N_st_diag*itermax), &
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!U_csf2(sze_csf,N_st_diag*itermax), &
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! Small
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h(N_st_diag*itermax,N_st_diag*itermax), &
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@ -329,8 +329,8 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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tmpU(kk,ii) = U_csf(ii,shift+kk)
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enddo
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enddo
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tmpU =0.0d0
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tmpU(1,1)=1.0d0
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!tmpU =0.0d0
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!tmpU(1,1)=1.0d0
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double precision :: irp_rdtsc
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double precision :: ticks_0, ticks_1
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integer*8 :: irp_imax
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@ -345,19 +345,19 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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enddo
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enddo
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U_csf = 0.0d0
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U_csf(1,1) = 1.0d0
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u_in = 0.0d0
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call convertWFfromCSFtoDET(N_st_diag,tmpU,U2)
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call H_u_0_nstates_openmp(u_in,U2,N_st_diag,sze)
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call convertWFfromDETtoCSF(N_st_diag,u_in(1,1),W_csf2(1,1))
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do i=1,sze_csf
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print *,"I=",i," qp=",W_csf2(i,1)," my=",W_csf(i,1)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
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!if(dabs(dabs(W_csf2(i,1))-dabs(W_csf(i,1))) .gt. 1.0e-10)then
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! print *,"somo=",psi_configuration(1,1,i)," domo=",psi_configuration(1,2,i)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
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!endif
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end do
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stop
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!U_csf = 0.0d0
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!U_csf(1,1) = 1.0d0
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!u_in = 0.0d0
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!call convertWFfromCSFtoDET(N_st_diag,tmpU,U2)
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!call H_u_0_nstates_openmp(u_in,U2,N_st_diag,sze)
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!call convertWFfromDETtoCSF(N_st_diag,u_in(1,1),W_csf2(1,1))
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!do i=1,sze_csf
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! print *,"I=",i," qp=",W_csf2(i,1)," my=",W_csf(i,1)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
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! !if(dabs(dabs(W_csf2(i,1))-dabs(W_csf(i,1))) .gt. 1.0e-10)then
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! ! print *,"somo=",psi_configuration(1,1,i)," domo=",psi_configuration(1,2,i)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
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! !endif
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!end do
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!stop
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deallocate(tmpW)
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deallocate(tmpU)
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endif
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