quantum_package

History

Anthony Scemama 87109fb96b Fixed EZFIO		2019-02-05 21:59:26 +01:00
..
NEEDED_CHILDREN_MODULES	Forgot files in FourIdx	2017-10-05 18:52:09 +02:00
README.rst	Fixed EZFIO	2019-02-05 21:59:26 +01:00
four_index.irp.f	Fixed travis	2017-10-30 15:35:55 +01:00
four_index_block.irp.f	Added ZMQ 4idx	2017-12-05 18:54:10 +01:00
four_index_slave.irp.f	Removed ZMQ_PUSH	2017-12-18 11:05:12 +01:00
four_index_zmq.irp.f	Fix compiling with gfortran	2017-12-18 10:19:23 +01:00

README.rst

=======
FourIdx 
=======

Four-index transformation.

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


.. image:: tree_dependency.png

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

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


`four_idx_collector <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L212>`_
  Undocumented


`four_idx_pull_results <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L243>`_
  Undocumented


`four_idx_push_results <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L303>`_
  Undocumented


`four_index_transform <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index.irp.f#L1>`_
  Performs a four-index transformation of map_a(N^4) into map_c(M^4) using b(NxM)
  C_{abcd} = \sum_{ijkl} A_{ijkl}.B_{ia}.B_{jb}.B_{kc}.B_{ld}
  Loops run over *_start->*_end


`four_index_transform_block <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_block.irp.f#L1>`_
  Performs a four-index transformation of map_a(N^4) into map_c(M^4) using b(NxM)
  C_{abcd} = \sum_{ijkl} A_{ijkl}.B_{ia}.B_{jb}.B_{kc}.B_{ld}
  Loops run over *_start->*_end


`four_index_transform_slave <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L141>`_
  Undocumented


`four_index_transform_slave_inproc <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L130>`_
  Computes a buffer of integrals. i is the ID of the current thread.


`four_index_transform_slave_tcp <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L120>`_
  Computes a buffer of integrals. i is the ID of the current thread.


`four_index_transform_slave_work <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_slave.irp.f#L1>`_
  Performs a four-index transformation of map_a(N^4) into map_c(M^4) using b(NxM)
  C_{abcd} = \sum_{ijkl} A_{ijkl}.B_{ia}.B_{jb}.B_{kc}.B_{ld}
  Loops run over *_start->*_end


`four_index_transform_zmq <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L1>`_
  Performs a four-index transformation of map_a(N^4) into map_c(M^4) using b(NxM)
  C_{abcd} = \sum_{ijkl} A_{ijkl}.B_{ia}.B_{jb}.B_{kc}.B_{ld}
  Loops run over *_start->*_end


`nthreads_four_idx <http://github.com/LCPQ/quantum_package/tree/master/src/FourIdx/four_index_zmq.irp.f#L196>`_
  Number of threads for 4-index transformation