excitingscripts

Executable command-line scripts for working with the exciting code.


License
Other
Install
pip install excitingscripts==0.1.0

Documentation

                     +-----------------------------------+
                     |     The EXCITING FP-LAPW Code     |
                     +-----------------------------------+

Copyright (C) 2002-2013 The exciting Team.
This code is distributed under the terms of the GNU General Public License.
See the file COPYING for license details. 

    EXCITING is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2 of the License, or
    (at your option) any later version.

    EXCITING is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
    GNU General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with EXCITING; if not, write to the Free Software
    Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA

Other Licenses
	
	The code is packaged with libraries that are distributed under different
	licenses then the GPL. They are:
	
	FoX XML library (BSD like license)
	http://www.uszla.me.uk/FoX/DoX/Licensing.html
	
	BLAS LAPACK
	http://www.netlib.org/lapack/LICENSE
	
	ARPACK
	http://www.caam.rice.edu/software/ARPACK/RiceBSD.txt#LICENSE
	
	LIBXC (GPL 3.0)
	http://www.tddft.org/programs/octopus/wiki/index.php/Libxc


Compile
	The code can be compiled  by running 
	
	make
	
	in this directory. The first time this will start a setup script. After choosing the
 	platform you will be asked wether you want to build a k-point parallel version using
	MPI and a version that uses multithreaded BLAS/LAPACK. Choose yes or no dependent on
	if you have the required libraries installed on your system. You can manually edit
	the make.inc in the build directory.
	
	The auxiliary programs include "spacegroup" for producing crystal geometries
	from spacegroup data, "species" for generating species files, and "eos" for
	fitting equations of state to energy-volume data.
	
	EXCITING is updated regularly with new features and bug fixes. This release may
	be used for limited production but please check the consistency of the results
	carefully.
	
	--------------------------------------------------------------------------------
	
	
	http://exciting-code.org