mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-25 13:03:28 +01:00
28 lines
291 B
ReStructuredText
28 lines
291 B
ReStructuredText
|
.. _swap_mos:
|
||
|
|
|
||
|
|
.. program:: swap_mos
|
||
|
|
|
||
|
|
========
|
||
|
|
swap_mos
|
||
|
|
========
|
||
|
|
|
||
|
|
|
||
|
|
|
||
|
|
|
||
|
|
Swaps the indices of two molecular orbitals
|
||
|
|
|
||
|
|
Needs:
|
||
|
|
|
||
|
|
.. hlist::
|
||
|
|
:columns: 3
|
||
|
|
|
||
|
|
* :c:data:`ao_num`
|
||
|
|
* :c:data:`mo_coef`
|
||
|
|
|
||
|
|
Calls:
|
||
|
|
|
||
|
|
.. hlist::
|
||
|
|
:columns: 3
|
||
|
|
|
||
|
|
* :c:func:`save_mos`
|