2018-07-30 19:17:27 +02:00
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program cis
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implicit none
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read_wf = .False.
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SOFT_TOUCH read_wf
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call run
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end
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subroutine run
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2014-05-13 13:57:58 +02:00
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implicit none
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2014-05-25 01:18:41 +02:00
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integer :: i
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2014-05-17 14:20:55 +02:00
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2014-05-13 13:57:58 +02:00
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call H_apply_cisd
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print *, 'N_det = ', N_det
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2014-05-25 01:18:41 +02:00
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do i = 1,N_states
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print *, 'energy = ',CI_energy(i)
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print *, 'E_corr = ',CI_electronic_energy(i) - ref_bitmask_energy
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2014-05-21 22:41:26 +02:00
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enddo
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2017-11-29 10:06:55 +01:00
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psi_coef = ci_eigenvectors
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SOFT_TOUCH psi_coef
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2018-07-30 19:27:41 +02:00
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call save_wavefunction_truncated(1.d-12)
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2018-07-30 19:17:27 +02:00
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2014-05-13 13:57:58 +02:00
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end
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