Commit 60180de3 authored by liang's avatar liang
Browse files

Add details on the three SQARE modules

parent 1c581d5d
......@@ -40,6 +40,9 @@ The first Electronic Structure ESDW in Zaragoza in June 2016 was the starting po
./modules/pspio/readme
./modules/escdf/readme
./modules/poke/readme
./modules/sqare-grids-doc/readme
./modules/sqare-ode-doc/readme
./modules/sqare-states-doc/readme
Contributing to this documentation
==================================
......
.. _example:
################################
SQARE radial grids and functions
################################
.. sidebar:: Software Technical Information
Language
C with Fortran 2003 bindings.
Documentation Tool
Doxygen,Sphinx,ReStructuredText
Application Documentation
`ESL wiki <http://esl.cecam.org/SQARE>`_
Licence
L-GPL v3
.. contents:: :local:
SQARE (Solvers for quantum atomic radial equations) is a library of
utilities intented for dealing with functions discretized on radial
meshes, wave-equations with spherical symmetry and their corresponding
quantum states. The utilities are segregated into three levels: radial
grids and functions, ODE solvers, and states.
Purpose of Module
_________________
This module provides functions and structures to create radial meshes
and define discretized radial functions on those meshes.
Background Information
______________________
If the modifications are to an existing code base then this would be the place to describe that codebase and how to get
access to it.
Software Technical Information
______________________________
License
LGLP v3
Language
C with Fortran 2003 bindings.
Documentation Tool
Doxygen,Sphinx,ReStructuredText
Application Documentation
`ESL wiki <http://esl.cecam.org/SQARE>`_
Instalation
___________
A release can be download from `HERE <https://gitlab.e-cam2020.eu/ESL/sqare/tags/v0.0.0>`_
Current installation and testing are done with gcc compiler. Check (version>=0.9.4) is required for instalation and testing.
Here are the commands for instalation::
$ tar xfvz libsqare-0.0.0.tar.gz
$ ./configure
$ make
Testing
_______
SQARE contains several unit tests that can be used to check the
compilation and to perform regression testing. These tests can be
executed by doing::
$ make check
Source Code
___________
The source code is available from the `E-CAM Gitlab`__ under the
`sqare`__ project. The SQARE Grids directory can be found `here`__.
.. __: https://gitlab.e-cam2020.eu/
.. __: https://gitlab.e-cam2020.eu/ESL/sqare/
.. __: https://gitlab.e-cam2020.eu/ESL/sqare/tree/src_split/grids
.. _example:
#########
SQARE ODE
#########
.. sidebar:: Software Technical Information
Language
C with Fortran 2003 bindings.
Documentation Tool
Doxygen,Sphinx,ReStructuredText
Application Documentation
`ESL wiki <http://esl.cecam.org/SQARE>`_
Licence
L-GPL v3
.. contents:: :local:
SQARE (Solvers for quantum atomic radial equations) is a library of
utilities intented for dealing with functions discretized on radial
meshes, wave-equations with spherical symmetry and their corresponding
quantum states. The utilities are segregated into three levels: radial
grids and functions, ODE solvers, and states.
Purpose of Module
_________________
This module provides functions and structures to solve ordinary
differential equations on a radial mesh.
Background Information
______________________
If the modifications are to an existing code base then this would be the place to describe that codebase and how to get
access to it.
Software Technical Information
______________________________
License
LGLP v3
Language
C with Fortran 2003 bindings.
Documentation Tool
Doxygen,Sphinx,ReStructuredText
Application Documentation
`ESL wiki <http://esl.cecam.org/SQARE>`_
Instalation
___________
A release can be download from `HERE <https://gitlab.e-cam2020.eu/ESL/sqare/tags/v0.0.0>`_
Current installation and testing are done with gcc compiler. Check (version>=0.9.4) is required for instalation and testing.
Here are the commands for instalation::
$ tar xfvz libsqare-0.0.0.tar.gz
$ ./configure
$ make
Testing
_______
SQARE contains several unit tests that can be used to check the
compilation and to perform regression testing. These tests can be
executed by doing:
$ make check
Source Code
___________
The source code is available from the `E-CAM Gitlab`__ under the
`sqare`__ project. The SQARE ODE-solvers directory can be found `here`__.
.. __: https://gitlab.e-cam2020.eu/
.. __: https://gitlab.e-cam2020.eu/ESL/sqare/
.. __: https://gitlab.e-cam2020.eu/ESL/sqare/tree/src_split/ode-solvers
.. _example:
############
SQARE states
############
.. sidebar:: Software Technical Information
Language
C with Fortran 2003 bindings.
Documentation Tool
Doxygen,Sphinx,ReStructuredText
Application Documentation
`ESL wiki <http://esl.cecam.org/SQARE>`_
Licence
L-GPL v3
.. contents:: :local:
SQARE (Solvers for quantum atomic radial equations) is a library of
utilities intented for dealing with functions discretized on radial
meshes, wave-equations with spherical symmetry and their corresponding
quantum states. The utilities are segregated into three levels: radial
grids and functions, ODE solvers, and states.
Purpose of Module
_________________
This module provides functions and structures to solve radial wave-equations in various flavors and obtain the corresponding eigenstates.
Background Information
______________________
If the modifications are to an existing code base then this would be the place to describe that codebase and how to get
access to it.
Software Technical Information
______________________________
License
LGLP v3
Language
C with Fortran 2003 bindings.
Documentation Tool
Doxygen,Sphinx,ReStructuredText
Application Documentation
`ESL wiki <http://esl.cecam.org/SQARE>`_
Instalation
___________
A release can be download from `HERE <https://gitlab.e-cam2020.eu/ESL/sqare/tags/v0.0.0>`_
Current installation and testing are done with gcc compiler. Check (version>=0.9.4) is required for instalation and testing.
Here are the commands for instalation::
$ tar xfvz libsqare-0.0.0.tar.gz
$ ./configure
$ make
Testing
_______
SQARE contains several unit tests that can be used to check the
compilation and to perform regression testing. These tests can be
executed by doing::
$ make check
Source Code
___________
The source code is available from the `E-CAM Gitlab`__ under the
`sqare`__ project. The SQARE States directory can be found `here`__.
.. __: https://gitlab.e-cam2020.eu/
.. __: https://gitlab.e-cam2020.eu/ESL/sqare/
.. __: https://gitlab.e-cam2020.eu/ESL/sqare/tree/src_split/states
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