mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-16 17:35:42 +02:00
13 lines
247 B
ReStructuredText
13 lines
247 B
ReStructuredText
|
Modifying MOs
|
||
|
=============
|
||
|
|
||
|
When modifying MOs, the label of the current MOs should change accordingly by changing the mo_label. For example:
|
||
|
|
||
|
.. code-block:: fortran
|
||
|
|
||
|
mo_coef = new_mo_coef
|
||
|
mo_label = "MyNewLabel"
|
||
|
TOUCH mo_coef mo_label
|
||
|
|
||
|
|