freebsd-ports/science/dft++/pkg-plist

bin/dft-pw
bin/dft-wl
%%EXAMPLESDIR%%/dft.in
%%EXAMPLESDIR%%/output
%%EXAMPLESDIR%%/si_psp.tar
%%EXAMPLESDIR%%/Si/loc.1002.02
%%EXAMPLESDIR%%/Si/nl.d.501.02
%%EXAMPLESDIR%%/Si/nl.p.501.02
%%EXAMPLESDIR%%/Si/si.pot
@dirrm %%EXAMPLESDIR%%/Si
@dirrm %%EXAMPLESDIR%%
A Density functional software. This software has a unique design based upon the DFT++ algebraic framework introduced in Computer Physics Communications 128, 1-45 (June 2000). This framework allows us to transparently separate the computational guts (cache optimization, parallelization, etc.) from the introduction of new representations (plane waves, wavelets) and new physics (new density functionals, linear response theory, dielectric solutions). The software is fully cache and register optimized, and runs in serial, threaded, MPI and mixed threaded-MPI parallel environments. 2004-03-20 05:50:45 +01:00			`bin/dft-pw`
			`bin/dft-wl`
			`%%EXAMPLESDIR%%/dft.in`
			`%%EXAMPLESDIR%%/output`
			`%%EXAMPLESDIR%%/si_psp.tar`
			`%%EXAMPLESDIR%%/Si/loc.1002.02`
			`%%EXAMPLESDIR%%/Si/nl.d.501.02`
			`%%EXAMPLESDIR%%/Si/nl.p.501.02`
			`%%EXAMPLESDIR%%/Si/si.pot`
			`@dirrm %%EXAMPLESDIR%%/Si`
			`@dirrm %%EXAMPLESDIR%%`