Source files

DALTON is distributed as a tar file obtainable from the DALTON homepage
(http://www.kjemi.uio.no/software/dalton/dalton.html) if the license agreement for the program has been completed and returned to the authors. If you have accessed this documentation off the tar file you will already know how to extract the required directory structure, but for completeness, assuming the tar file is called dalton.tar.gz, the commands

gunzip dalton.tar.gz
tar xf dalton.tar

will produce the following subdirectory structure in the current directory:

dalton/abacus    dalton/dft        dalton/include   dalton/test
dalton/amfi      dalton/Doc        dalton/pdpack    dalton/tools
dalton/basis     dalton/eri        dalton/rsp
dalton/cc        dalton/gp         dalton/sirius

Most of the subdirectories contain source code for the different sections constituting the program (abacus, amfi, cc, dft, eri, gp, rsp and sirius). Furthermore, there's a directory containing various public domain routines (pdpack), a directory with the necessary include files containing common blocks and machine dependent routines (include), a directory containing all the basis sets supplied with this distribution (basis), a fairly large set of test jobs including reference output files (test), a directory containing some useful pre- and post-processing programs supplied to us from various users (tools), and finally this documentation (Doc).

In addition to the directories, the main dalton directory will contain several files including a shell script (configure) which will build a suitable Makefile.config for use when installing the program. The configure script will also create a Makefile and a run script bin/dalton from the skeletal files (Makefile.in and dalton.gnr) that are present in the directory.