** Arbitrary order Exchange-Correlation functional library **

Copyright Ulf Ekstrom <uekstrom@gmail.com> and contributors 2009-2010.
See http://admol.org/xcfun for more information.

The main interface is in include/xcfun.h
(or fortran/xcfun_module.F90 for Fortran bindings).

Copying:

The library is licensed under the LGPL license version 3, see
COPYING.LESSER for more information.


Configuration:

Check that XC_MAX_ORDER is defined to the highest order derivatives
you need (and not higher) in src/config.h.  Using a too large value
for XC_MAX_ORDER makes compilation slow and the generated code huge.


Building a debug/development version:

Edit the Makefile that matches your compiler
(Makefile.gcc or Makefile.intel or ...)
to set CXX (C++ compiler) and flags and run
$ make -f Makefile.gcc
(or using the corresponding Makefile)
This will create the library file lib/libxcfun.so.


Building an optimized version:

Edit the Makefile that matches your compiler
(Makefile.gcc or Makefile.intel or ...)
and add -DNDEBUG to the compiler flags. Add optimization
compiler options. Make sure your compiler performs inlining
(-O3 with gcc).
