Paketti: gpaw (24.1.0-1) [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.

Muut pakettiin gpaw liittyvät paketit

• dep: gpaw-data

  gpaw datasets/setups

• dep: libc6 (>= 2.3.4)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa 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 (>= 3.11~)

• dep: python3-ase (>= 3.22.1)

  Atomic Simulation Environment (Python 3)

• dep: python3-numpy (>= 1:1.25.0)

  Python library for numerical computations (Python 3)

• dep: python3-numpy-abi9

  näennäispaketti, jonka toteuttaa python3-numpy

• dep: python3-scipy

  scientific tools for Python 3

• dep: python3-yaml

  YAML parser and emitter for Python3

Imuroi gpaw

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
hppa (epävirallinen siirros)	1,433.8 kt	8,186.0 kt	[tiedostoluettelo]