Libxc:download

From OctopusWiki

If you wish, you may use libxc in your own code. However, you will have to get it directly from the svn repository. Furthermore, the fortran interface of libxc depends on libstring_f, a small library that provides a way to interchange strings between C and Fortran.

Note that libxc is already included in Octopus, so you do not need the stand-alone version if you simply want to run Octopus.

Contents 1 Only C interface 2 With fortran support 3 C interface 4 Fortran interface

Only C interface

 $ svn co http://www.tddft.org/svn/octopus/trunk/libxc/
 $ cd libxc
 $ autoreconf -i
 $ ./configure --disable-fortran
 $ make
 $ make install

With fortran support

To obtain and install libstring_f:

 $ svn co http://www.tddft.org/svn/octopus/trunk/libstring_f
 $ cd libstring_f
 $ autoreconf -i
 $ ./configure
 $ make install

To obtain and install libxc

 $ svn co http://www.tddft.org/svn/octopus/trunk/libxc/
 $ cd libxc
 $ autoreconf -i
 $ ./configure
 $ make
 $ make install

You may need to tell the C compiler where to find the header files from libstring_f.

C interface

The C interface of libxc is defined in the header src/xc.h.

Fortran interface

The fortran interface is provided by the libxc module that can be found under the directory src/ of the libxc directory.

Back to libxc