mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-19 19:52:20 +02:00
94 lines
2.2 KiB
Fortran
94 lines
2.2 KiB
Fortran
BEGIN_PROVIDER [ integer, n_mat]
|
|
implicit none
|
|
n_mat = 2
|
|
END_PROVIDER
|
|
|
|
BEGIN_PROVIDER [ double precision, h_non_hermit, (n_mat, n_mat)]
|
|
&BEGIN_PROVIDER [ double precision, h_non_hermit_transp, (n_mat, n_mat)]
|
|
&BEGIN_PROVIDER [ double precision, reigvec_ht, (n_mat, n_mat)]
|
|
&BEGIN_PROVIDER [ double precision, leigvec_ht, (n_mat, n_mat)]
|
|
&BEGIN_PROVIDER [ double precision, eigval_ht, (n_mat)]
|
|
&BEGIN_PROVIDER [ integer, n_real_ht, (n_mat)]
|
|
implicit none
|
|
integer :: i,j
|
|
do i = 1, n_mat
|
|
read(33,*)h_non_hermit(i,1:n_mat)
|
|
enddo
|
|
print*,''
|
|
print*,'H_mat '
|
|
print*,''
|
|
do i = 1, n_mat
|
|
write(*,'(1000(F16.10,X))')h_non_hermit(i,:)
|
|
enddo
|
|
do i = 1, n_mat
|
|
do j = 1, n_mat
|
|
h_non_hermit_transp(j,i) = h_non_hermit(i,j)
|
|
enddo
|
|
enddo
|
|
call non_hrmt_real_diag(n_mat,h_non_hermit,reigvec_ht,leigvec_ht,n_real_ht,eigval_ht)
|
|
|
|
|
|
END_PROVIDER
|
|
|
|
|
|
subroutine hcalc_r_tmp(v,u,N_st,sze) ! v = H u
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Template of routine for the application of H
|
|
!
|
|
! Here, it is done with the Hamiltonian matrix
|
|
!
|
|
! on the set of determinants of psi_det
|
|
!
|
|
! Computes $v = H | u \rangle$
|
|
!
|
|
END_DOC
|
|
integer, intent(in) :: N_st,sze
|
|
double precision, intent(in) :: u(sze,N_st)
|
|
double precision, intent(inout) :: v(sze,N_st)
|
|
integer :: i,j,istate
|
|
v = 0.d0
|
|
do istate = 1, N_st
|
|
do j = 1, sze
|
|
do i = 1, sze
|
|
v(i,istate) += h_non_hermit(i,j) * u(j,istate)
|
|
! print*,i,j,h_non_hermit(i,j),u(j,istate)
|
|
enddo
|
|
enddo
|
|
enddo
|
|
print*,'HU'
|
|
do i = 1, sze
|
|
print*,v(i,1)
|
|
enddo
|
|
end
|
|
|
|
subroutine hcalc_l_tmp(v,u,N_st,sze) ! v = H^\dagger u
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Template of routine for the application of H
|
|
!
|
|
! Here, it is done with the Hamiltonian matrix
|
|
!
|
|
! on the set of determinants of psi_det
|
|
!
|
|
! Computes $v = H | u \rangle$
|
|
!
|
|
END_DOC
|
|
integer, intent(in) :: N_st,sze
|
|
double precision, intent(in) :: u(sze,N_st)
|
|
double precision, intent(inout) :: v(sze,N_st)
|
|
integer :: i,j,istate
|
|
v = 0.d0
|
|
do istate = 1, N_st
|
|
do j = 1, sze
|
|
do i = 1, sze
|
|
v(i,istate) += h_non_hermit_transp(i,j) * u(j,istate)
|
|
enddo
|
|
enddo
|
|
enddo
|
|
print*,'HU'
|
|
do i = 1, sze
|
|
print*,v(i,1)
|
|
enddo
|
|
end
|