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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-18 11:15:28 +02:00
quantum_package/src/Bitmask
2014-04-17 23:50:51 +02:00
..
tests Test in bitmasks 2014-04-17 15:10:26 +02:00
ASSUMPTIONS.rst Added Bi-electronic integrals module 2014-04-17 23:50:51 +02:00
bitmasks_module.f90 Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
bitmasks_routines.irp.f Test in bitmasks 2014-04-17 15:10:26 +02:00
bitmasks.irp.f Documented MOs 2014-04-10 22:17:26 +02:00
Makefile Simplified Makefiles 2014-04-03 11:28:54 +02:00
NEEDED_MODULES Test in bitmasks 2014-04-17 15:10:26 +02:00
README.rst Added Bi-electronic integrals module 2014-04-17 23:50:51 +02:00

==============
Bitmask Module
==============

The central part of this module is the ``bitmasks_module.f90`` file. It contains
the constants that will be used to define on which kind of integer the bitmasks
will be defined.

In the program, when an integer ``X`` is used to represent a bit string (like a determinant
for example), it should be defined as, for example:

.. code-block:: fortran

  use bitmasks
  integer(bit_kind)  :: X


The ``bitmasks_routines.irp.f`` contains helper routines to manipulate bitmassk, like
transforming a bit string to a list of integers for example.

Assumptions
===========

.. Do not edit this section. It was auto-generated from the
.. ASSUMPTIONS.rst file.

``bit_kind_shift``, ``bit_kind_size`` and ``bit_kind`` are coherent:

.. code_block:: fortran

  2**bit_kind_shift = bit_kind_size
  bit_kind = bit_kind_size / 8




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

.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.

* `AOs <http://github.com/LCPQ/quantum_package/tree/master/src/AOs>`_
* `Electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons>`_
* `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_
* `MOs <http://github.com/LCPQ/quantum_package/tree/master/src/MOs>`_
* `Nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Nuclei>`_
* `Output <http://github.com/LCPQ/quantum_package/tree/master/src/Output>`_
* `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_