This directory contains a database of reference atomic density matrices. It is
only populated in the stable/unstable releases of HORTON, not in the development
version. In the later case, one has to download the files manually from the
following url and unpack the archive:

http://users.ugent.be/~tovrstra/horton/refatoms.tar.bz2

Then run the script fixnames.py to fix some name conventions in these files

On unix, all this can be done through the Makefile:

make all

The density matrices are computed at the CCSDT(FULL)/ANO-RCC level of theory.
All ions are included that are not basis-set bound, i.e. the computed ionization
potential must be positive. For each ion, all reasonable multiplicities were
tested and the lowest in energy was selected. The filenames have the following
format:

"%03i_%2s_N%02i_M%1i.h5" % (number, symbol, population, multiplicity)
