mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-23 21:03:49 +01:00
42 lines
683 B
ReStructuredText
42 lines
683 B
ReStructuredText
.. _print_wf:
|
|
|
|
.. program:: print_wf
|
|
|
|
========
|
|
print_wf
|
|
========
|
|
|
|
|
|
|
|
|
|
Print the ground state wave function stored in the |EZFIO| directory
|
|
in the intermediate normalization.
|
|
|
|
It also prints a lot of information regarding the excitation
|
|
operators from the reference determinant ! and a first-order
|
|
perturbative analysis of the wave function.
|
|
|
|
If the wave function strongly deviates from the first-order analysis,
|
|
something funny is going on :)
|
|
|
|
Needs:
|
|
|
|
.. hlist::
|
|
:columns: 3
|
|
|
|
* :c:data:`read_wf`
|
|
|
|
Calls:
|
|
|
|
.. hlist::
|
|
:columns: 3
|
|
|
|
* :c:func:`routine`
|
|
|
|
Touches:
|
|
|
|
.. hlist::
|
|
:columns: 3
|
|
|
|
* :c:data:`read_wf`
|