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22 lines
578 B
ReStructuredText
22 lines
578 B
ReStructuredText
.. _.fcidump.:
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.. program:: fcidump
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=======
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fcidump
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=======
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Produce a regular FCIDUMP file from the |MOs| stored in the |EZFIO| folder.
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To specify an active space, the class of the mos have to set in the |EZFIO| folder (see :ref:`qp_set_mo_class`).
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The fcidump program supports 3 types of MO_class :
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* the "core" orbitals which are always doubly occupied in the calculation
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* the "del" orbitals that are never occupied in the calculation
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* the "act" orbitals that will be occupied by a varying number of electrons
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File: :file:`tools/fcidump.irp.f` |