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Workaround for ezfio bug
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@ -11,5 +11,5 @@ interface: ezfio, provider
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[elec_num]
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[elec_num]
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type: Positive_int
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type: Positive_int
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doc: Numbers total of electrons (alpha + beta)
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doc: Numbers total of electrons (alpha + beta)
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default: =(electrons.elec_alpha_num + electrons.elec_beta_num)
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default: = electrons.elec_alpha_num + electrons.elec_beta_num
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interface: ezfio, provider
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interface: ezfio
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@ -34,7 +34,7 @@ Documentation
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.. Do not edit this section. It was auto-generated from the
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.. Do not edit this section. It was auto-generated from the
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.. by the `update_README.py` script.
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.. by the `update_README.py` script.
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`elec_alpha_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/ezfio_interface.irp.f#L50>`_
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`elec_alpha_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/ezfio_interface.irp.f#L28>`_
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Numbers of electrons alpha ("up")
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Numbers of electrons alpha ("up")
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@ -42,10 +42,10 @@ Documentation
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Numbers of electrons beta ("down")
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Numbers of electrons beta ("down")
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`elec_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/ezfio_interface.irp.f#L28>`_
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`elec_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L1>`_
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Numbers total of electrons (alpha + beta)
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Numbers of alpha ("up") , beta ("down") and total electrons
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`elec_num_tab <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L1>`_
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`elec_num_tab <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L2>`_
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Numbers of alpha ("up") , beta ("down") and total electrons
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Numbers of alpha ("up") , beta ("down") and total electrons
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@ -1,4 +1,5 @@
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BEGIN_PROVIDER [ integer, elec_num_tab, (2)]
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BEGIN_PROVIDER [ integer, elec_num]
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&BEGIN_PROVIDER [ integer, elec_num_tab, (2)]
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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@ -6,6 +7,7 @@ BEGIN_PROVIDER [ integer, elec_num_tab, (2)]
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END_DOC
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END_DOC
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PROVIDE ezfio_filename
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PROVIDE ezfio_filename
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call ezfio_get_electrons_elec_num(elec_num)
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elec_num_tab(1) = elec_alpha_num
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elec_num_tab(1) = elec_alpha_num
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elec_num_tab(2) = elec_beta_num
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elec_num_tab(2) = elec_beta_num
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