.. _Dalton:

======
Dalton
======

Related information
===================

.. toctree::
 :maxdepth: 1

 firsttime_dalton.rst


General information
===================

Description
-----------

Dalton is an ab initio quantum chemistry computer program. It is capable of calculating various molecular properties using the Hartree-Fock, MP2, MCSCF and coupled cluster theories. Dalton also supports density functional theory calculations.


Online information from vendor
------------------------------

* Homepage: http://daltonprogram.org/
* Documentation: http://daltonprogram.org/documentation/
* For download: http://daltonprogram.org/download/


License and access policy
-------------------------

Dalton is licensed under the GPL 2. That basically means that everyone may freely use the program.

Citation
--------

When publishing results obtained with the referred software referred, check the following page to find the correct citation(s): http://daltonprogram.org/citation/


Usage
=====

You load the application by typing:

.. code-block:: bash

	module load Dalton/2016-130ffaa0-intel-2017a

For more information on available versions of Dalton, type:

.. code-block:: bash

	module avail Dalton
