Paketti: gpaw (1.5.1-1)

[ Source: 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.

Muut pakettiin gpaw liittyvät paketit

• dep: gpaw-data

  gpaw datasets/setups

• dep: libblas3

  Basic Linear Algebra Reference implementations, shared library

  tai libblas.so.3

  näennäispaketti, jonka toteuttaa libatlas3-base, libblas3, libblis2-openmp, libblis2-pthread, libblis2-serial, libopenblas-base

• dep: libc6 (>= 2.4)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libfftw3-dev

  Library for computing Fast Fourier Transforms - development

• dep: liblapack3

  Library of linear algebra routines 3 - shared version

  tai liblapack.so.3

  näennäispaketti, jonka toteuttaa libatlas3-base, liblapack3, libopenblas-base

• dep: libopenmpi3

  high performance message passing library -- shared library

• dep: libpython3.7 (>= 3.7.0)

  Shared Python runtime library (version 3.7)

• dep: libscalapack-openmpi2.0

  Scalable Linear Algebra Package - Shared libs for OpenMPI

• dep: libxc5 (>= 4.2.1-1)

  Library of Exchange-Correlation Functionals

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.8)

  dep: python3 (>= 3.7~)

• dep: python3-ase (>= 3.17.0)

  Atomic Simulation Environment (Python 3)

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

  Fast array facility to the Python 3 language

• dep: python3-numpy-abi9

  näennäispaketti, jonka toteuttaa python3-numpy

• rec: python3-scipy

  scientific tools for Python 3

Imuroi gpaw

Imurointi kaikille saataville arkkitehtuureille

Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
armhf	1,092.9 kt	5,868.0 kt	[tiedostoluettelo]