2016-09-15 18:34:07 +02:00
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program print_1h2p
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implicit none
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read_wf = .True.
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touch read_wf
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2016-12-05 15:10:53 +01:00
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call routine_2
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2016-11-17 17:03:48 +01:00
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end
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subroutine routine_2
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implicit none
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2016-12-05 15:10:53 +01:00
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integer :: i,j,degree
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double precision :: hij
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!provide one_creat_virt
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2016-11-25 19:23:09 +01:00
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do i =1, n_act_orb
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2016-12-05 15:10:53 +01:00
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write(*,'(I3,x,100(F16.10,X))')i,one_creat(i,:,1)
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2016-11-25 19:23:09 +01:00
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! write(*,'(I3,x,100(F16.10,X))')i,one_anhil_one_creat(1,4,1,2,1)
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2016-12-05 15:10:53 +01:00
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!
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2016-11-17 17:03:48 +01:00
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enddo
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2016-09-15 18:34:07 +02:00
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end
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subroutine routine
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implicit none
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double precision,allocatable :: matrix_1h2p(:,:,:)
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2016-11-28 14:51:12 +01:00
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double precision :: accu(2)
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allocate (matrix_1h2p(N_det_ref,N_det_ref,N_states))
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2016-09-15 18:34:07 +02:00
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integer :: i,j,istate
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accu = 0.d0
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2016-11-28 14:51:12 +01:00
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matrix_1h2p = 0.d0
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call H_apply_mrpt_2p(matrix_1h2p,N_det_ref)
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do istate = 1, N_states
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do i = 1, N_det
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do j = 1, N_det
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accu(istate) += matrix_1h2p(i,j,istate) * psi_coef(i,istate) * psi_coef(j,istate)
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2016-09-18 19:46:13 +02:00
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enddo
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enddo
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2016-11-28 14:51:12 +01:00
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print*,accu(istate)
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2016-09-18 19:46:13 +02:00
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enddo
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2016-09-15 18:34:07 +02:00
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deallocate (matrix_1h2p)
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end
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