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Maho Nakata 34ce1bef94 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 04:50:45 +00:00

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MD5 (dft++/dft++.v3.0.tar.gz) = c8272ef2b9bb955a2c9db8840d08424d
SIZE (dft++/dft++.v3.0.tar.gz) = 356235
MD5 (dft++/dft.in) = c8547142048315619f05b98d9041636f
SIZE (dft++/dft.in) = 3203
MD5 (dft++/si_psp.tar) = 9f9c86f4bc4b0e4e1c2b0dd46440c282
SIZE (dft++/si_psp.tar) = 102400
MD5 (dft++/output) = a33c69fff62e5be5a61c6acbc5ece822
SIZE (dft++/output) = 245937