9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-30 23:25:39 +01:00
qp2/doc/_sources/programs/write_integrals_erf.rst.txt
2019-01-25 14:17:34 +01:00

36 lines
560 B
ReStructuredText

.. _write_integrals_erf:
.. program:: write_integrals_erf
===================
write_integrals_erf
===================
Saves the two-electron integrals with the :math:`erf(\mu r_{12})/r_{12}` oprerator into the EZFIO folder
Needs:
.. hlist::
:columns: 3
* :c:data:`io_mo_two_e_integrals`
* :c:data:`io_ao_two_e_integrals`
Calls:
.. hlist::
:columns: 3
* :c:func:`routine`
Touches:
.. hlist::
:columns: 3
* :c:data:`io_ao_two_e_integrals`
* :c:data:`io_mo_two_e_integrals`