mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-23 03:53:29 +01:00
Removed test code.
This commit is contained in:
parent
c3c61d4ba1
commit
6f86f05e7f
@ -112,8 +112,8 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
|
|||||||
double precision, allocatable :: U(:,:), U_csf(:,:), overlap(:,:)
|
double precision, allocatable :: U(:,:), U_csf(:,:), overlap(:,:)
|
||||||
double precision, allocatable :: tmpU(:,:), tmpW(:,:)
|
double precision, allocatable :: tmpU(:,:), tmpW(:,:)
|
||||||
double precision, pointer :: W(:,:), W_csf(:,:)
|
double precision, pointer :: W(:,:), W_csf(:,:)
|
||||||
double precision, pointer :: W2(:,:), W_csf2(:,:)
|
!double precision, pointer :: W2(:,:), W_csf2(:,:)
|
||||||
double precision, allocatable :: U2(:,:), U_csf2(:,:)
|
!double precision, allocatable :: U2(:,:), U_csf2(:,:)
|
||||||
logical :: disk_based
|
logical :: disk_based
|
||||||
double precision :: energy_shift(N_st_diag_in*davidson_sze_max)
|
double precision :: energy_shift(N_st_diag_in*davidson_sze_max)
|
||||||
|
|
||||||
@ -236,15 +236,15 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
|
|||||||
call c_f_pointer(ptr_w, W_csf, (/sze_csf,N_st_diag*itermax/))
|
call c_f_pointer(ptr_w, W_csf, (/sze_csf,N_st_diag*itermax/))
|
||||||
else
|
else
|
||||||
allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax))
|
allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax))
|
||||||
allocate(W2(sze,N_st_diag),W_csf2(sze_csf,N_st_diag*itermax))
|
!allocate(W2(sze,N_st_diag),W_csf2(sze_csf,N_st_diag*itermax))
|
||||||
endif
|
endif
|
||||||
|
|
||||||
allocate( &
|
allocate( &
|
||||||
! Large
|
! Large
|
||||||
U(sze,N_st_diag), &
|
U(sze,N_st_diag), &
|
||||||
U2(sze,N_st_diag), &
|
!U2(sze,N_st_diag), &
|
||||||
U_csf(sze_csf,N_st_diag*itermax), &
|
U_csf(sze_csf,N_st_diag*itermax), &
|
||||||
U_csf2(sze_csf,N_st_diag*itermax), &
|
!U_csf2(sze_csf,N_st_diag*itermax), &
|
||||||
|
|
||||||
! Small
|
! Small
|
||||||
h(N_st_diag*itermax,N_st_diag*itermax), &
|
h(N_st_diag*itermax,N_st_diag*itermax), &
|
||||||
@ -329,8 +329,8 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
|
|||||||
tmpU(kk,ii) = U_csf(ii,shift+kk)
|
tmpU(kk,ii) = U_csf(ii,shift+kk)
|
||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
tmpU =0.0d0
|
!tmpU =0.0d0
|
||||||
tmpU(1,1)=1.0d0
|
!tmpU(1,1)=1.0d0
|
||||||
double precision :: irp_rdtsc
|
double precision :: irp_rdtsc
|
||||||
double precision :: ticks_0, ticks_1
|
double precision :: ticks_0, ticks_1
|
||||||
integer*8 :: irp_imax
|
integer*8 :: irp_imax
|
||||||
@ -345,19 +345,19 @@ subroutine davidson_diag_cfg_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
|
|||||||
enddo
|
enddo
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
U_csf = 0.0d0
|
!U_csf = 0.0d0
|
||||||
U_csf(1,1) = 1.0d0
|
!U_csf(1,1) = 1.0d0
|
||||||
u_in = 0.0d0
|
!u_in = 0.0d0
|
||||||
call convertWFfromCSFtoDET(N_st_diag,tmpU,U2)
|
!call convertWFfromCSFtoDET(N_st_diag,tmpU,U2)
|
||||||
call H_u_0_nstates_openmp(u_in,U2,N_st_diag,sze)
|
!call H_u_0_nstates_openmp(u_in,U2,N_st_diag,sze)
|
||||||
call convertWFfromDETtoCSF(N_st_diag,u_in(1,1),W_csf2(1,1))
|
!call convertWFfromDETtoCSF(N_st_diag,u_in(1,1),W_csf2(1,1))
|
||||||
do i=1,sze_csf
|
!do i=1,sze_csf
|
||||||
print *,"I=",i," qp=",W_csf2(i,1)," my=",W_csf(i,1)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
|
! print *,"I=",i," qp=",W_csf2(i,1)," my=",W_csf(i,1)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
|
||||||
!if(dabs(dabs(W_csf2(i,1))-dabs(W_csf(i,1))) .gt. 1.0e-10)then
|
! !if(dabs(dabs(W_csf2(i,1))-dabs(W_csf(i,1))) .gt. 1.0e-10)then
|
||||||
! print *,"somo=",psi_configuration(1,1,i)," domo=",psi_configuration(1,2,i)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
|
! ! print *,"somo=",psi_configuration(1,1,i)," domo=",psi_configuration(1,2,i)," diff=",dabs(W_csf2(i,1))-dabs(W_csf(i,1))
|
||||||
!endif
|
! !endif
|
||||||
end do
|
!end do
|
||||||
stop
|
!stop
|
||||||
deallocate(tmpW)
|
deallocate(tmpW)
|
||||||
deallocate(tmpU)
|
deallocate(tmpU)
|
||||||
endif
|
endif
|
||||||
|
Loading…
Reference in New Issue
Block a user