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# relaxse-code
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--------------------------------------------------
# Relaxed Selected Excitation (RelaxSE)
--------------------------------------------------

The RelaxSE project is distributed under LGPL. In agreement with the
Intergovernmental Convention of the ILL, this software cannot be used
in military applications.

Copyright (C) 2016-2021  Institut Laue-Langevin (ILL), Grenoble, FRANCE
                         Institut Neel - CNRS-UPR2940 (CNRS), Grenoble, FRANCE

Authors: Elisa REBOLINI (ILL)             rebolini@ill.fr
         Marie-Bernadette LEPETIT (CNRS)  Marie-Bernadette.Lepetit@neel.cnrs.fr

RelaxSE is free software; you can redistribute it and/or
modify it under the terms of the GNU Lesser General Public
License as published by the Free Software Foundation; either
version 3.0 of the License, or (at your option) any later version.

RelaxSE 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
Lesser General Public License for more details.

You should have received a copy of the GNU Lesser General Public
License along with this library; if not, see <http://www.gnu.org/licenses/>.

---
# Compilation
---

## Dependencies
- cmake (>3.5) python (>3.4)
- fortran compiler (gfortran or ifort)
- OpenMP and/or MPI for parallel compilation
- blas and lapack libraries

NB: for linux it might be necessary to make a symlink for blas and lapack
ln -s libblas.so.3 libblas.a
ln -s liblapack.so.3 liblapack.a

## Configure 
- ./configure buildname
- cd buildname
- make

## Running
- INPUT, file.ref0, file.TraInt, file.TraOne in the same directory
- relaxse.x 

## Compilation options
CC=`which gcc` CXX=`which g++` FC=`which gfortran` ./configure --build-type Debug builddir
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