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Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev

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Anthony Scemama 2021-01-25 10:25:15 +01:00
commit b21088af52
2 changed files with 6 additions and 3 deletions
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6
docs/source/users_guide/quickstart.rst
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@ -128,6 +128,12 @@ and the atomic basis set:
ao_two_e_erf_ints density_for_dft electrons mo_two_e_ints scf_utils ao_two_e_erf_ints density_for_dft electrons mo_two_e_ints scf_utils
ao_two_e_ints determinants ezfio nuclei work ao_two_e_ints determinants ezfio nuclei work
If you need to run using an already existing EZFIO database, use
.. code:: bash
qp set_file hcn
Run a Hartree-Fock calculation Run a Hartree-Fock calculation
------------------------------ ------------------------------

3
src/two_body_rdm/example.irp.f
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@ -285,6 +285,3 @@ subroutine routine_full_mos
end end
program test
call routine_active_only
end