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