10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-08 07:03:57 +01:00
quantum_package/src/Bitmask/README.rst

48 lines
1.4 KiB
ReStructuredText
Raw Normal View History

2014-04-03 16:23:27 +02:00
==============
Bitmask Module
==============
2014-04-10 22:17:26 +02:00
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
2014-04-10 22:26:42 +02:00
for example), it should be defined as, for example:
2014-04-10 22:17:26 +02:00
.. 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::
2**bit_kind_shift = bit_kind_size
bit_kind = bit_kind_size / 8
2014-04-03 16:23:27 +02:00
Needed Modules
2014-04-04 00:41:43 +02:00
==============
.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.
2014-04-03 16:23:27 +02:00
* `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>`_
* `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_
2014-04-03 16:23:27 +02:00