Pakket: gpaw (24.6.0-1)

[ Bron: 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.

Andere aan gpaw gerelateerde pakketten

• dep: gpaw-data

  gpaw datasets/setups

• dep: libc6 (>= 2.38)

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6-udeb

• dep: libelpa19 (>= 2022.11.001)

  Eigenvalue SoLvers for Petaflop-Applications

• dep: libfftw3-double3 (>= 3.3.10)

  Library for computing Fast Fourier Transforms - Double precision

• dep: libopenmpi3t64 (>= 4.1.6)

  high performance message passing library -- shared library

• dep: libscalapack-openmpi2.2 (>= 2.2.1)

  Scalable Linear Algebra Package - Shared libs for OpenMPI

• dep: libxc9 (>= 5.0.0)

  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 (<< 3.13)

  dep: python3 (>= 3.12~)

• dep: python3-ase (>= 3.23.0)

  Atomic Simulation Environment (Python 3)

• dep: python3-numpy (>= 1:1.25.0)

  Fast array facility to the Python language (Python 3)

• dep: python3-numpy-abi9

  virtueel pakket geboden door python3-numpy

• dep: python3-scipy

  scientific tools for Python 3

gpaw downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Pakketgrootte	Geïnstalleerde grootte	Bestanden
ppc64el	1.438,7 kB	7.961,0 kB	[overzicht]