Пакет: gpaw (24.6.0-1 и други)

[ Източник: 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.

Други пакети, свързани с gpaw

• dep: gpaw-data

  gpaw datasets/setups

• dep: libc6 (>= 2.38)

  GNU C Library: Shared libraries
  също и виртуален пакет, предлаган от 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 (>= 5.0.5)

  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 (<< 3.14)

  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

  виртуален пакет, предлаган от python3-numpy

• dep: python3-scipy

  scientific tools for Python 3

Изтегляне на gpaw

Изтегляне за всички налични архитектури

Архитектура	Версия	Големина на пакета	Големина след инсталиране	Файлове
amd64	24.6.0-1+b1	1 435,6 кБ	8 278,0 кБ	[списък на файловете]