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42 lines
646 B
ReStructuredText
42 lines
646 B
ReStructuredText
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.. _molden:
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.. program:: molden
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======
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molden
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======
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Produces a Molden file
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Needs:
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.. hlist::
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:columns: 3
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* :c:data:`nucl_list_shell_aos`
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* :c:data:`mo_occ`
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* :c:data:`ezfio_filename`
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* :c:data:`mo_coef`
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* :c:data:`ao_coef`
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* :c:data:`ao_power`
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* :c:data:`fock_matrix_mo`
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* :c:data:`ao_num`
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* :c:data:`ao_prim_num`
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* :c:data:`mo_num`
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* :c:data:`nucl_coord`
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* :c:data:`ao_l`
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* :c:data:`nucl_charge`
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* :c:data:`ao_expo`
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* :c:data:`element_name`
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* :c:data:`nucl_num`
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Calls:
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.. hlist::
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:columns: 3
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* :c:func:`isort`
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