mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-26 21:33:30 +01:00
42 lines
723 B
ReStructuredText
42 lines
723 B
ReStructuredText
|
.. _print_ci_vectors:
|
||
|
|
||
|
.. program:: print_ci_vectors
|
||
|
|
||
|
================
|
||
|
print_ci_vectors
|
||
|
================
|
||
|
|
||
|
|
||
|
|
||
|
|
||
|
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`
|