BSD Ports

wip/bigdft 1.6.0nb1 NetBSD

Massively parallel electronic structure code using a wavelet basis set

System
NetBSD
Repository
pkgsrc-wip
Maintainer
[email protected]
License
gnu-gpl-v2
Categories
wip, math

Description

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.

Install

From pkgsrc-wip (no binary package):

cd /usr/pkgsrc/wip/bigdft && make install clean

Dependencies

Run dependencies 1

No port depends on this one.