quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-11-05 05:33:56 +01:00

History

Anthony Scemama 256048d24f Fixed MRCC		2018-06-27 15:20:33 +02:00
..
create_ezfio.py	Merge Anouar (#69 )	2018-05-07 12:06:25 +02:00
NEEDED_CHILDREN_MODULES	Fixes #223	2018-01-13 18:15:12 +01:00
print_integrals_ao.irp.f	read_integrals	2017-09-26 14:54:18 +02:00
print_integrals_mo.irp.f	Fixes #223	2018-01-13 18:15:12 +01:00
read_integrals_achocol.irp.f	Merge Anouar (#69 )	2018-05-07 12:06:25 +02:00
read_integrals_ao.irp.f	read_integrals	2017-09-26 14:54:18 +02:00
read_integrals_mo_chocol.irp.f	Merge Anouar (#69 )	2018-05-07 12:06:25 +02:00
read_integrals_mo.irp.f	Fixes #223	2018-01-13 18:15:12 +01:00
README.rst	Merge Anouar (#69 )	2018-05-07 12:06:25 +02:00
tree_dependency.png	Add plugings to read the Molecular integrals	2017-05-08 16:38:51 +00:00

README.rst

=============
read_integral
=============

Warning: CAN NOT CHANGE THE NUMBER OF MO !
Scripts to read integrals and metadata and generates fake ezfio

Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.


.. image:: tree_dependency.png

* `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_
* `Integrals_Bielec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Bielec>`_

Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.


`print_integrals <http://github.com/LCPQ/quantum_package/tree/master/plugins/read_integral/read_integrals_mo.irp.f#L1>`_
  Undocumented


`run <http://github.com/LCPQ/quantum_package/tree/master/plugins/read_integral/read_integrals_mo.irp.f#L8>`_
  Undocumented