2020-02-26 23:30:38 +01:00
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program print_energy
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2020-02-26 15:58:14 +01:00
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implicit none
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BEGIN_DOC
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! Prints the energy of the wave function stored in the |EZFIO| directory.
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END_DOC
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! this has to be done in order to be sure that N_det, psi_det and
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! psi_coef_sorted are the wave function stored in the |EZFIO| directory.
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read_wf = .True.
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touch read_wf
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2020-07-14 15:23:53 +02:00
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PROVIDE N_states
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2020-02-26 15:58:14 +01:00
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call run
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end
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subroutine run
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implicit none
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2024-02-28 14:46:23 +01:00
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call print_mol_properties
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print *, psi_energy + nuclear_repulsion
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2020-02-26 15:58:14 +01:00
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end
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