Pakket: gpaw (25.1.0-1 en anderen)

[ 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: libblas3 [x32]

  Basic Linear Algebra Reference implementations, shared library

  of libblas.so.3

  virtueel pakket geboden door libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial

• dep: libc6 (>= 2.16) [x32]

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

  dep: libc6 (>= 2.3.4) [hppa]

  dep: libc6 (>= 2.37) [sh4]

  dep: libc6 (>= 2.38) [niet alpha, hppa, m68k, sh4, x32]

  dep: libc6 (>= 2.4) [m68k]

• dep: libc6.1 (>= 2.38) [alpha]

  GNU C Bibliotheek: Gedeelde bibliotheken
  Ook een virtueel pakket geboden door: libc6.1-udeb

• dep: libelpa19 (>= 2022.11.001) [niet x32]

  Eigenvalue SoLvers for Petaflop-Applications

• dep: libfftw3-dev [x32]

  Library for computing Fast Fourier Transforms - development

• dep: libfftw3-double3 (>= 3.3.10) [niet x32]

  Library for computing Fast Fourier Transforms - Double precision

• dep: libopenmpi3 (>= 4.0.4) [x32]

  high performance message passing library -- shared library

• dep: libopenmpi3t64 (>= 4.1.6) [hppa, m68k, sh4]

  high performance message passing library -- shared library

• dep: libopenmpi40 (>= 5.0.7) [niet hppa, m68k, sh4, x32]

  high performance message passing library -- shared library

• dep: libscalapack-openmpi2.2 (>= 2.2.1) [hppa, m68k, sh4]

  Scalable Linear Algebra Package - Shared libs for OpenMPI

  dep: libscalapack-openmpi2.2 (>= 2.2.2) [niet hppa, m68k, sh4, x32]

• dep: libxc5 (>= 4.2.1) [x32]

  Pakket niet beschikbaar

• dep: libxc9 (>= 5.0.0) [niet x32]

  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) [hppa, m68k, sh4]

  dep: python3 (<< 3.14) [niet hppa, m68k, sh4, x32]

  dep: python3 (<< 3.9) [x32]

  dep: python3 (>= 3.11~) [hppa, m68k, sh4]

  dep: python3 (>= 3.13~) [niet hppa, m68k, sh4, x32]

  dep: python3 (>= 3.8~) [x32]

• dep: python3-ase (>= 3.18.0) [x32]

  Atomic Simulation Environment (Python 3)

  dep: python3-ase (>= 3.22.1) [hppa, m68k, sh4]

  dep: python3-ase (>= 3.23.0) [niet hppa, m68k, sh4, x32]

• dep: python3-numpy [niet hppa, m68k, sh4, x32]

  Python library for numerical computations (Python 3)

  dep: python3-numpy (>= 1:1.16.0~rc1) [x32]

  dep: python3-numpy (>= 1:1.25.0) [hppa, m68k, sh4]

• dep: python3-numpy-abi9 [hppa, m68k, sh4, x32]

  virtueel pakket geboden door python3-numpy

• dep: python3-numpy2-abi0 [niet hppa, m68k, sh4, x32]

  virtueel pakket geboden door python3-numpy

  of python3-numpy-abi9

  virtueel pakket geboden door python3-numpy

• dep: python3-scipy [niet x32]

  scientific tools for Python 3

• dep: python3-yaml [hppa, m68k, sh4]

  YAML parser and emitter for Python3

• rec: python3-scipy

  scientific tools for Python 3

gpaw downloaden

Pakket downloaden voor alle beschikbare platforms

Platform	Versie	Pakketgrootte	Geïnstalleerde grootte	Bestanden
alpha (unofficial port)	25.1.0-1+b1	1.448,3 kB	8.076,0 kB	[overzicht]
amd64	25.1.0-1+b1	1.457,1 kB	8.038,0 kB	[overzicht]
arm64	25.1.0-1+b1	1.439,5 kB	8.010,0 kB	[overzicht]
hppa (unofficial port)	24.1.0-1	1.433,8 kB	8.186,0 kB	[overzicht]
m68k (unofficial port)	24.1.0-1	1.416,2 kB	8.192,0 kB	[overzicht]
mips64el	25.1.0-1+b1	1.443,5 kB	8.021,0 kB	[overzicht]
ppc64 (unofficial port)	25.1.0-1+b1	1.463,2 kB	8.138,0 kB	[overzicht]
ppc64el	25.1.0-1+b1	1.462,8 kB	8.074,0 kB	[overzicht]
riscv64	25.1.0-1+b1	1.454,3 kB	7.946,0 kB	[overzicht]
s390x	25.1.0-1+b1	1.466,6 kB	8.054,0 kB	[overzicht]
sh4 (unofficial port)	24.1.0-1	1.462,3 kB	8.130,0 kB	[overzicht]
sparc64 (unofficial port)	25.1.0-1+b1	1.434,0 kB	8.719,0 kB	[overzicht]
x32 (unofficial port)	20.1.0-2	1.126,8 kB	6.028,0 kB	[overzicht]