[ Bron: gpaw ]
Pakket: gpaw (1.5.1-1)
Verwijzigingen voor gpaw
Debian bronnen:
Het bronpakket gpaw downloaden:
Beheerders:
Externe bronnen:
- Homepage [wiki.fysik.dtu.dk]
Vergelijkbare pakketten:
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
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- dep: gpaw-data
- gpaw datasets/setups
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- of libblas.so.3
- virtueel pakket geboden door libatlas3-base, libblas3, libblis2-openmp, libblis2-pthread, libblis2-serial, libopenblas-base
-
- dep: libc6 (>= 2.4)
- GNU C Bibliotheek: Gedeelde bibliotheken
Ook een virtueel pakket geboden door: libc6-udeb
-
- dep: libfftw3-dev
- Library for computing Fast Fourier Transforms - development
-
- dep: liblapack3
- Library of linear algebra routines 3 - shared version
- of liblapack.so.3
- virtueel pakket geboden door 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
- virtueel pakket geboden door python3-numpy
-
- rec: python3-scipy
- scientific tools for Python 3