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18 lines
334 B
Fortran
18 lines
334 B
Fortran
program CIS_full
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implicit none
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integer :: i
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provide eigenvalues_CIS
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call save_cis
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end
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subroutine save_cis
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do i = 1, n_state_cis
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print*,''
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print*,'eigenvalues_CIS(i) = ',eigenvalues_CIS(i)+nuclear_repulsion
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print*,'s2 = ',s_2_CIS(i)
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enddo
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call save_wavefunction_general(size_psi_CIS,n_state_cis,psi_CIS,coefs_CIS)
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end
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