quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 13:12:16 +02:00

History

Anthony Scemama ff86d51c5f Hartree-Fock works well		2014-06-25 14:58:58 +02:00
..
tests	rst format in output directory	2014-04-11 01:53:15 +02:00
ASSUMPTIONS.rst	Added README.rst in all directories	2014-04-03 16:23:27 +02:00
Makefile	Simplified Makefiles	2014-04-03 11:28:54 +02:00
NEEDED_MODULES	rst format in output directory	2014-04-11 01:53:15 +02:00
output.ezfio_config	Added MOs and bitmasks	2014-04-03 01:59:48 +02:00
output.irp.f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
README.rst	Selection and perturbation work. Introduced new tests.	2014-05-24 02:39:18 +02:00

README.rst

=============
Output Module
=============

This module deals with the program I/O in log files.
All output should be printed using routines present in this module.
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
Needed Modules
==============

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

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

Documentation
=============

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

`output_cpu_time_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Output/output.irp.f#L2>`_
  Initial CPU and wall times when printing in the output files

`output_wall_time_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Output/output.irp.f#L1>`_
  Initial CPU and wall times when printing in the output files

`write_double <http://github.com/LCPQ/quantum_package/tree/master/src/Output/output.irp.f#L50>`_
  Write a double precision value in output

`write_int <http://github.com/LCPQ/quantum_package/tree/master/src/Output/output.irp.f#L65>`_
  Write an integer value in output

`write_time <http://github.com/LCPQ/quantum_package/tree/master/src/Output/output.irp.f#L34>`_
  Write a time stamp in the output for chronological reconstruction