mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-02 11:25:26 +02:00
16 lines
459 B
ReStructuredText
16 lines
459 B
ReStructuredText
.. _.four_idx_transform.:
|
|
|
|
.. program:: four_idx_transform
|
|
|
|
==================
|
|
four_idx_transform
|
|
==================
|
|
|
|
|
|
4-index transformation of two-electron integrals from |AO| to |MO| integrals.
|
|
|
|
This program will compute the two-electron integrals on the |MO| basis and store it into the |EZFIO| folder.
|
|
|
|
This program can be useful if the AO --> MO transformation is an expensive step by itself.
|
|
|
|
File: :file:`tools/four_idx_transform.irp.f` |