quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00

History

Emmanuel Giner 1b376ec135 rm Molden/aos.irp.f		2016-03-15 01:16:56 +01:00
..
.gitignore	MRCC is ok with selected excitation operators	2015-07-20 14:19:11 +02:00
NEEDED_CHILDREN_MODULES	moved Molden/aos.irp.f in AO_Basis/aos.irp.f	2016-03-15 01:16:24 +01:00
print_mo.irp.f	Now print_mo works with the new version of Molden, loc_cele fixed.	2016-03-14 17:32:20 +01:00
README.rst	Update readme	2015-11-08 21:02:55 +01:00
tree_dependency.png	Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master	2015-07-03 23:56:32 +02:00

README.rst

=============
Molden Module
=============

Documentation
=============

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

`print_mos <http://github.com/LCPQ/quantum_package/tree/master/src/Molden/print_mo.irp.f#L1>`_
  Undocumented


`write_ao_basis <http://github.com/LCPQ/quantum_package/tree/master/src/Molden/print_mo.irp.f#L63>`_
  Undocumented


`write_geometry <http://github.com/LCPQ/quantum_package/tree/master/src/Molden/print_mo.irp.f#L45>`_
  Undocumented


`write_intro_gamess <http://github.com/LCPQ/quantum_package/tree/master/src/Molden/print_mo.irp.f#L26>`_
  Undocumented


`write_mo_basis <http://github.com/LCPQ/quantum_package/tree/master/src/Molden/print_mo.irp.f#L112>`_
  Undocumented

Needed Modules
==============

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

.. image:: tree_dependency.png

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

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


.. image:: tree_dependency.png

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

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


`print_mos <http://github.com/LCPQ/quantum_package/tree/master/plugins/Molden/print_mo.irp.f#L1>`_
  Undocumented


`write_ao_basis <http://github.com/LCPQ/quantum_package/tree/master/plugins/Molden/print_mo.irp.f#L63>`_
  Undocumented


`write_geometry <http://github.com/LCPQ/quantum_package/tree/master/plugins/Molden/print_mo.irp.f#L45>`_
  Undocumented


`write_intro_gamess <http://github.com/LCPQ/quantum_package/tree/master/plugins/Molden/print_mo.irp.f#L26>`_
  Undocumented


`write_mo_basis <http://github.com/LCPQ/quantum_package/tree/master/plugins/Molden/print_mo.irp.f#L112>`_
  Undocumented