Package: gpaw (24.6.0-1 and others)

[ Source: gpaw  ]

DFT og derudover i den projektor-forstærket bølgemetode

En tæthedsfunktionel teori (DFT) for Pythonkode baseret på projektor- forstærket bølgemetode (PAW) og atomare simuleringsmiljø (ASE). Den bruger real-space ensartede net- og flernetsmetoder, atom-centreret basis- funktioner eller plane-bølger.

Other Packages Related to gpaw

• dep: gpaw-data

  Gpaw - datasæt/opsætninger

• dep: libblas3 [x32]

  Grundlæggende reference-implementeringer til lineær algebra, delt bibliotek

  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) [x32]

  GNU C-bibliotek: Delte biblioteker
  also a virtual package provided by libc6-udeb

  dep: libc6 (>= 2.3.4) [hppa]

  dep: libc6 (>= 2.37) [sh4]

  dep: libc6 (>= 2.38) [not alpha, hppa, m68k, sh4, x32]

  dep: libc6 (>= 2.4) [m68k]

• dep: libc6.1 (>= 2.38) [alpha]

  GNU C-bibliotek: Delte biblioteker
  also a virtual package provided by libc6.1-udeb

• dep: libelpa19 (>= 2022.11.001) [not x32]

  Eigenvalue SoLvers for Petaflop-programmer

• dep: libfftw3-dev [x32]

  Bibliotek for beregning af Fast Fourier Transforms - udvikling

• dep: libfftw3-double3 (>= 3.3.10) [not x32]

  Bibliotek for beregning af Fast Fourier Transforms - dobbelt præcision

• dep: libopenmpi3 (>= 4.0.4) [x32]

  Bibliotek til beskedvideresendelse med høj ydelse - delt bibliotek

• dep: libopenmpi3t64 (>= 4.1.6) [not x32]

  Bibliotek til beskedvideresendelse med høj ydelse - delt bibliotek

• dep: libscalapack-openmpi2.2 (>= 2.2.1) [not x32]

  Scalable Linear Algebra Package - delte biblioteker for OpenMPI

• dep: libxc5 (>= 4.2.1) [x32]

  Package not available

• dep: libxc9 (>= 5.0.0) [not x32]

  Library of Exchange-Correlation Functionals

• dep: openmpi-bin

  Bibliotek til beskedvideresendelse med høj ydelse - binære filer

• dep: python3

  Interaktivt objektorienteret højniveausprog - standardversion af Python 3

  dep: python3 (<< 3.13) [not x32]

  dep: python3 (<< 3.9) [x32]

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

  dep: python3 (>= 3.12~) [not 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) [not hppa, m68k, sh4, x32]

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

  Hurtig tabelfacilitet til Python 3-sproget

  dep: python3-numpy (>= 1:1.25.0) [not x32]

• dep: python3-numpy-abi9

  virtual package provided by python3-numpy

• dep: python3-scipy [not x32]

  Videnskabelige værktøjer for Python 3

• dep: python3-yaml [hppa, m68k, sh4]

  YAML-fortolker og udleder for Python 3

• rec: python3-scipy

  Videnskabelige værktøjer for Python 3

Download gpaw

Download for all available architectures

Architecture	Version	Package Size	Installed Size	Files
alpha (unofficial port)	24.6.0-1	1,425.4 kB	7,963.0 kB	[list of files]
amd64	24.6.0-1	1,432.5 kB	7,921.0 kB	[list of files]
arm64	24.6.0-1	1,414.8 kB	7,897.0 kB	[list of files]
hppa (unofficial port)	24.1.0-1	1,433.8 kB	8,186.0 kB	[list of files]
m68k (unofficial port)	24.1.0-1	1,416.2 kB	8,192.0 kB	[list of files]
mips64el	24.6.0-1	1,418.7 kB	7,908.0 kB	[list of files]
ppc64 (unofficial port)	24.6.0-1	1,437.2 kB	7,961.0 kB	[list of files]
ppc64el	24.6.0-1	1,438.7 kB	7,961.0 kB	[list of files]
riscv64	24.6.0-1	1,430.9 kB	7,829.0 kB	[list of files]
s390x	24.6.0-1	1,439.3 kB	7,928.0 kB	[list of files]
sh4 (unofficial port)	24.1.0-1	1,462.3 kB	8,130.0 kB	[list of files]
sparc64 (unofficial port)	24.6.0-1	1,410.3 kB	8,606.0 kB	[list of files]
x32 (unofficial port)	20.1.0-2	1,126.8 kB	6,028.0 kB	[list of files]