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https://github.com/LCPQ/quantum_package
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28 lines
628 B
Fortran
28 lines
628 B
Fortran
program diag_and_save
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implicit none
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read_wf = .True.
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touch read_wf
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call routine
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end
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subroutine routine
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implicit none
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integer :: igood_state_1,igood_state_2
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double precision, allocatable :: psi_coef_tmp(:,:)
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integer :: i
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print*,'N_det = ',N_det
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!call diagonalize_CI
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write(*,*)'Which couple of states would you like to save ?'
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read(5,*)igood_state_1,igood_state_2
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allocate(psi_coef_tmp(n_det,2))
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do i = 1, N_det
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psi_coef_tmp(i,1) = psi_coef(i,igood_state_1)
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psi_coef_tmp(i,2) = psi_coef(i,igood_state_2)
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enddo
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call save_wavefunction_general(N_det,2,psi_det,n_det,psi_coef_tmp)
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deallocate(psi_coef_tmp)
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end
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