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 , the command

tar xf dalton.tar

will produce the following subdirectory structure in the current directory:

dalton/Doc              dalton/basis      dalton/pdpack     dalton/tools
dalton/Makefile         dalton/eri        dalton/rsp
dalton/configure        dalton/gp         dalton/sirius 
dalton/abacus           dalton/include    dalton/test

These files and directories contain, respectively, the Makefile for the program, a shell script which will build a suitable Makefile.config for use when installing the program, the source code for the different sections constituting the program (abacus, gp, rsp, sirius, and eri), a directory containing various public domain routines (pdpack), the necessary include files containing common blocks and machine dependent routines, a directory containing all the basis sets supplied with this distribution, a set of test jobs with corresponding output files, a directory containing some useful pre- and post-processing programs supplied to us from various users, and finally this documentation.