abinit : Find total energy, charge density and electronic structure using density functional theory ( http://www.abinit.org/ )
campos-asap : ASAP is a calculator for campos-ase, implementing the Effective Medium Potential ( http://wiki.fysik.dtu.dk/Asap" epydoc --output epydoc --inheritance included --name Asap --url ${HOMEPAGE} Python/Asa )
campos-ase : The Atomistic Simulation Environment is the core of the CampOS simulation software. There are Python modules for: building atomic structures, molecular dynamics, structure optimization, analysis and much more. ( http://wiki.fysik.dtu.dk/ase" epydoc --output epydoc --inheritance included --name ASE --url ${HOMEPAGE} AS )
campos-dacapo : Dacapo is a plane-wave based Density Functional Theory program ( http://www.camp.dtu.dk/campos/Dacapo )
campos-gridpaw : Real-spaced implementation of Density Functional Theory with Projector-Augmented Waves ( http://wiki.fysik.dtu.dk/gridcode )
exciting : A full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features ( http://exciting.sourceforge.net/ )
octopus : A first principles, electronic structure, excited states, time-dependent density functional theory program ( http://www.tddft.org/programs/octopus/ )
Add an ebuild in portage :
The ebuild is now in the portage tree.
You can also use layman : emerge layman then layman -a dberkholz
For Paludis use this rsync : rsync://gentoo.zugaina.org/dberkholz-portage
If you have a problem : ycarus(-at-)zugaina.org