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Added save_wavefunction_truncated(ci_threshold)
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@ -5,4 +5,3 @@ interface: ezfio
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size: (determinants.n_states)
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@ -79,6 +79,6 @@ subroutine run
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call ezfio_set_cis_energy(CI_energy)
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psi_coef = ci_eigenvectors
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SOFT_TOUCH psi_coef
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call save_wavefunction_truncated(1.d-12)
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call save_wavefunction_truncated(ci_threshold)
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end
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@ -63,7 +63,7 @@ subroutine run
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endif
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psi_coef = ci_eigenvectors
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SOFT_TOUCH psi_coef
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call save_wavefunction
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call save_wavefunction_truncated(ci_threshold)
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call ezfio_set_cisd_energy(CI_energy)
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do i = 1,N_states
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@ -136,3 +136,9 @@ doc: If |true|, discard any Slater determinants with an interaction smaller than
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interface: ezfio,provider,ocaml
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default: False
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[ci_threshold]
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type: Threshold
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doc: Cut-off to apply to the CI coefficients when the wave function is stored
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interface: ezfio,provider,ocaml
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default: 0.
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