Package: gpaw (21.1.0-1)

[ Source: gpaw  ]

DFT and beyond within the projector-augmented wave method

A density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves.

Other Packages Related to gpaw

• dep: gpaw-data

  gpaw datasets/setups

• dep: libc6 (>= 2.14) [amd64]

  GNU C Library: Shared libraries
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.17) [arm64, ppc64el]

  dep: libc6 (>= 2.4) [not amd64, arm64, ppc64el]

• dep: libelpa15 (>= 2019.11.001)

  Eigenvalue SoLvers for Petaflop-Applications

• dep: libfftw3-double3 (>= 3.3.5)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libopenmpi3 (>= 4.1.0)

  high performance message passing library -- shared library

• dep: libscalapack-openmpi2.1 (>= 2.1.0)

  Scalable Linear Algebra Package - Shared libs for OpenMPI

• dep: libxc5 (>= 4.2.1)

  Library of Exchange-Correlation Functionals

• dep: openmpi-bin

  high performance message passing library -- binaries

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.10)

  dep: python3 (>= 3.9~)

• dep: python3-ase (>= 3.21.0)

  Atomic Simulation Environment (Python 3)

• dep: python3-numpy (>= 1:1.16.0~rc1)

  Fast array facility to the Python 3 language

• dep: python3-numpy-abi9

  virtual package provided by python3-numpy

• dep: python3-scipy

  scientific tools for Python 3

Download gpaw

Download for all available architectures

Architecture	Package Size	Installed Size	Files
amd64	1,142.7 kB	6,178.0 kB	[list of files]
arm64	1,128.1 kB	6,122.0 kB	[list of files]
armel	1,144.9 kB	6,249.0 kB	[list of files]
armhf	1,115.8 kB	6,041.0 kB	[list of files]
i386	1,131.9 kB	6,166.0 kB	[list of files]
mips64el	1,128.8 kB	6,149.0 kB	[list of files]
mipsel	1,137.1 kB	6,155.0 kB	[list of files]
ppc64el	1,147.6 kB	6,222.0 kB	[list of files]
s390x	1,126.8 kB	6,166.0 kB	[list of files]