Package: gpaw (20.1.0-2) [debports]

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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: libblas3

  Basic Linear Algebra Reference implementations, shared library

  or libblas.so.3

  virtual package provided by libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libc6 (>= 2.16)

  GNU C könyvtár: megosztott könyvtárak
  also a virtual package provided by libc6-udeb

• dep: libfftw3-dev

  Library for computing Fast Fourier Transforms - development

• dep: libopenmpi3 (>= 4.0.4)

  high performance message passing library -- shared library

• dep: libxc5 (>= 4.2.1)

  Package not available

• dep: openmpi-bin

  high performance message passing library -- binaries

• dep: python3

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

  dep: python3 (<< 3.9)

  dep: python3 (>= 3.8~)

• dep: python3-ase (>= 3.18.0)

  Atomic Simulation Environment (Python 3)

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

  Fast array facility to the Python language (Python 3)

• dep: python3-numpy-abi9

  virtual package provided by python3-numpy

• rec: python3-scipy

  scientific tools for Python 3

Download gpaw

Download for all available architectures

Architecture	Package Size	Installed Size	Files
x32 (unofficial port)	1,126.8 kB	6,028.0 kB	[list of files]