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Fixed 2rdm compilation
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@ -128,6 +128,12 @@ and the atomic basis set:
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ao_two_e_erf_ints density_for_dft electrons mo_two_e_ints scf_utils
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ao_two_e_ints determinants ezfio nuclei work
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If you need to run using an already existing EZFIO database, use
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.. code:: bash
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qp set_file hcn
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Run a Hartree-Fock calculation
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------------------------------
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@ -285,6 +285,3 @@ subroutine routine_full_mos
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end
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program test
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call routine_active_only
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end
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