Codebase for NECI. 
FCIQMC code developed by George Booth and Ali Alavi, 2013                                
Copyright (c) 2013, Ali Alavi                                                
                                                                             
This program is integrated in Molpro with the permission of 
George Booth and Ali Alavi            

Please feel free to contact myself (George Booth) or Ali Alavi for 
queries or help at george.booth@kcl.ac.uk and asa10@cam.ac.uk.

Contributers to the Alavi group NECI codebase, in alphebetical order;

Ali Alavi, Nick Blunt, George Booth, Deirdre Cleland, Jennifer Mohr, Catherine Overy, Simon Smart, 
James Shepherd, James Spencer, Anthony Stone, Lauretta Schwarz, Alex Thom, Robert Thomas, David Thompson.

Compilation
-----------

To compile NECI run

    $ ./tools/mkconfig.py platform
    $ make

The platform is a filename in the config directory.  The mkconfig.py script
has some useful options.  Run

    $ ./tools/mkconfig.py --help

to see information on them.

The objects are compiled to dest/platform/optimised/real (or complex, for
compiling the complex version for libraries).  The resultant executable,
neci.platform.optimised.x, is placed in the exe directory.

If the debug flag [-g] is given to mkconfig.py, then the debug configuration is used and 
the filenames and paths contain debug rather than optimised.

For convenience, bin/neci.x is a symbolic link to the most recently compiled
executable.