./wip/bigdft, Massively parallel electronic structure code using a wavelet basis set

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Branch: CURRENT, Version: 1.6.0nb1, Package name: bigdft-1.6.0nb1, Maintainer: jihbed.research

BigDFT is a DFT massively parallel electronic structure code using a wavelet
basis set. It was developed in an European program. Wavelets form a real space
basis set distributed on an adaptive mesh (two levels of resolution in our
implementation). GTH or HGH pseudopotentials are used to remove the
core electrons. Thanks to our Poisson solver based on a Green function
formalism, periodic systems, surfaces and isolated
systems can be simulated with the proper boundary conditions.


Required to run:
[archivers/libarchive] [lang/g95] [math/lapack] [math/blas] [lang/python37]

Required to build:
[pkgtools/cwrappers]

Master sites:

RMD160: 6cc9f8c87447d540e0677311dfb9a1da6c7f0150
Filesize: 8668.71 KB

Version history: (Expand)

CVS history: (Expand)


   2012-09-24 19:14:23 by Aleksej Saushev | Files touched by this commit (43) 
Log message:
Drop superfluous PKG_DESTDIR_SUPPORT, "user-destdir" is default these days.
Mark packages that don't or might probably not have staged installation.
   2012-09-16 23:22:13 by Kamel Derouiche | Files touched by this commit (4) 
Log message:
Import bigdft-1.6.0 as wip/bigdft.

BigDFT is a DFT massively parallel electronic structure code using a wavelet
basis set. It was developed in  an European program. Wavelets form a real space
basis set distributed on an adaptive mesh (two levels of resolution in our
implementation). GTH or HGH pseudopotentials are used to remove the
core electrons.  Thanks to our Poisson solver based on a Green function
formalism, periodic systems, surfaces and isolated
systems can be simulated with the proper boundary conditions.