套件：gpaw（20.1.0-2） [debports]
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.
其他與 gpaw 有關的套件
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- dep: gpaw-data
- gpaw datasets/setups
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- dep: libblas3
- Basic Linear Algebra Reference implementations, shared library
- 或者 libblas.so.3
- 本虛擬套件由這些套件填實： libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.16)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6-udeb
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- dep: libfftw3-dev
- Library for computing Fast Fourier Transforms - development
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- dep: libopenmpi3 (>= 4.0.4)
- high performance message passing library -- shared library
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- dep: libxc5 (>= 4.2.1)
- 套件暫時不可用
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- dep: openmpi-bin
- high performance message passing library -- binaries
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
- dep: python3 (<< 3.9)
- dep: python3 (>= 3.8~)
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- dep: python3-ase (>= 3.18.0)
- Atomic Simulation Environment (Python 3)
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- dep: python3-numpy (>= 1:1.16.0~rc1)
- Python library for numerical computations (Python 3)
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- dep: python3-numpy-abi9
- 本虛擬套件由這些套件填實： python3-numpy
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- rec: python3-scipy
- scientific tools for Python 3