mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-27 12:00:56 +02:00
8f89e3d239
* Documentation * Improved qp_set_frozen_core * Changed all ishft * New install script OK * Variable level shift in HF
15 lines
388 B
ReStructuredText
15 lines
388 B
ReStructuredText
Programming in the |qp|
|
|
=======================
|
|
|
|
To program in the |qp|, it is required that you are familiar with
|
|
the `IRPF90`_ code generator. A gitbook can be found `here <http://scemama.gitbooks.io/irpf90>`_.
|
|
|
|
|
|
.. interface AOs / MOs => resultsFile
|
|
.. interface integrals => AO / MO
|
|
.. interface integrals MO => FCIDUMP
|
|
.. TODO : molden module in resultsFile
|
|
|
|
.. include:: /work.rst
|
|
|