@@ -190,7 +194,18 @@ To run the notebooks you need the following installed in your machine:
\item the libraries Lapack and Blas
\item a Fortran compiler, such as \texttt{gfortran} or \texttt{ifort},
\end{itemize}
where the last two are required by the main package \href{https://git.physik.uni-wuerzburg.de:ALF}{ALF}.%, which is automatically handled by pyALF.
where the last two are required by the main package \href{https://git.physik.uni-wuerzburg.de:ALF}{ALF}. %, which is automatically handled by pyALF.
Also, add pyALF's path to your environment variable \texttt{PYTHONPATH}. In Linux, this can be achieved, e.g., by adding the following line to \texttt{.bashrc}:
Notice that \texttt{Run.py} assumes the existence of the configuration file \texttt{Sims}, which defines the simulation parameters. An entry of \texttt{Sims} might read as:
(or, depending on the system and installation, \texttt{jupyter-notebook})
(or, depending on the installation, \texttt{jupyter-notebook})
%\begin{lstlisting}[style=bash]
%jupyter-notebook
%\end{lstlisting}
which opens the "notebook dashboard" in your default browser, where you can navigate through your file structure to the pyALF directory. There you will find the interface's core module, \texttt{py\_alf.py}, some auxiliary files, and notebooks such as the ones included bellow. Have fun.
which opens the ``notebook dashboard'' in your default browser, where you can navigate through your file structure to the pyALF directory. There you will find the interface's core module, \texttt{py\_alf.py}, some auxiliary files, and notebooks such as the ones included bellow. Have fun.