2019-01-25 11:39:31 +01:00
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.. _four_idx_transform:
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.. program:: four_idx_transform
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==================
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four_idx_transform
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==================
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2019-01-25 14:54:22 +01:00
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4-index transformation of two-electron integrals from |AO| to |MO| integrals.
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This program will compute the two-electron integrals on the |MO| basis and store it into the |EZFIO| folder.
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2019-01-25 11:39:31 +01:00
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This program can be useful if the AO --> MO transformation is an expensive step by itself.
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Needs:
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.. hlist::
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:columns: 3
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* :c:data:`io_mo_two_e_integrals`
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* :c:data:`mo_two_e_integrals_in_map`
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Touches:
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.. hlist::
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:columns: 3
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* :c:data:`io_mo_two_e_integrals`
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