[ 源代码： gpaw ]
软件包：gpaw（25.1.0-1 以及其他的）
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.
其他与 gpaw 有关的软件包
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- dep: gpaw-data
- gpaw datasets/setups
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- dep: libblas3 [x32]
- Basic Linear Algebra Reference implementations, shared library
- 或者 libblas.so.3
- 本虚包由这些包填实： libatlas3-base, libblas3, libblis4-openmp, libblis4-pthread, libblis4-serial, libopenblas0-openmp, libopenblas0-pthread, libopenblas0-serial
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- dep: libc6 (>= 2.16) [x32]
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6-udeb
- dep: libc6 (>= 2.3.4) [hppa]
- dep: libc6 (>= 2.37) [sh4]
- dep: libc6 (>= 2.38) [除 alpha, hppa, m68k, sh4, x32]
- dep: libc6 (>= 2.4) [m68k]
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- dep: libc6.1 (>= 2.38) [alpha]
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6.1-udeb
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- dep: libelpa19 (>= 2022.11.001) [除 x32]
- Eigenvalue SoLvers for Petaflop-Applications
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- dep: libfftw3-dev [x32]
- Library for computing Fast Fourier Transforms - development
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- dep: libfftw3-double3 (>= 3.3.10) [除 x32]
- Library for computing Fast Fourier Transforms - Double precision
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- dep: libopenmpi3 (>= 4.0.4) [x32]
- high performance message passing library -- shared library
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- dep: libopenmpi3t64 (>= 4.1.6) [hppa, m68k, sh4]
- high performance message passing library -- shared library
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- dep: libopenmpi40 (>= 5.0.6) [除 alpha, hppa, m68k, sh4, x32]
- high performance message passing library -- shared library
- dep: libopenmpi40 (>= 5.0.7) [alpha]
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- 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) [除 hppa, m68k, sh4, x32]
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- dep: libxc5 (>= 4.2.1) [x32]
- 软件包暂时不可用
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- dep: libxc9 (>= 5.0.0) [除 x32]
- Library of Exchange-Correlation Functionals
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- dep: openmpi-bin
- high performance message passing library -- binaries
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- dep: python3
- 交互式高级面向对象语言（默认 python3 版本）
- dep: python3 (<< 3.13) [hppa, m68k, sh4]
- dep: python3 (<< 3.14) [除 hppa, m68k, sh4, x32]
- dep: python3 (<< 3.9) [x32]
- dep: python3 (>= 3.11~) [hppa, m68k, sh4]
- dep: python3 (>= 3.12~) [除 hppa, m68k, sh4, x32]
- dep: python3 (>= 3.8~) [x32]
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- 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) [除 hppa, m68k, sh4, x32]
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- dep: python3-numpy [除 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]
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- dep: python3-numpy-abi9 [hppa, m68k, sh4, x32]
- 本虚包由这些包填实： python3-numpy
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- dep: python3-numpy2-abi0 [除 hppa, m68k, sh4, x32]
- 本虚包由这些包填实： python3-numpy
- 或者 python3-numpy-abi9
- 本虚包由这些包填实： python3-numpy
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- dep: python3-scipy [除 x32]
- scientific tools for Python 3
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- dep: python3-yaml [hppa, m68k, sh4]
- YAML parser and emitter for Python3
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- rec: python3-scipy
- scientific tools for Python 3
下载 gpaw
| 硬件架构 | 版本 | 软件包大小 | 安装后大小 | 文件 |
|---|---|---|---|---|
| alpha （非官方移植版） | 25.1.0-1 | 1,460.7 kB | 8,473.0 kB | [文件列表] |
| amd64 | 25.1.0-1 | 1,459.4 kB | 8,397.0 kB | [文件列表] |
| arm64 | 25.1.0-1 | 1,451.8 kB | 8,341.0 kB | [文件列表] |
| hppa （非官方移植版） | 24.1.0-1 | 1,433.8 kB | 8,186.0 kB | [文件列表] |
| m68k （非官方移植版） | 24.1.0-1 | 1,416.2 kB | 8,192.0 kB | [文件列表] |
| mips64el | 25.1.0-1 | 1,455.4 kB | 8,363.0 kB | [文件列表] |
| ppc64 （非官方移植版） | 25.1.0-1 | 1,474.7 kB | 8,597.0 kB | [文件列表] |
| ppc64el | 25.1.0-1 | 1,475.5 kB | 8,469.0 kB | [文件列表] |
| riscv64 | 25.1.0-1 | 1,459.7 kB | 8,213.0 kB | [文件列表] |
| s390x | 25.1.0-1 | 1,470.8 kB | 8,413.0 kB | [文件列表] |
| sh4 （非官方移植版） | 24.1.0-1 | 1,462.3 kB | 8,130.0 kB | [文件列表] |
| sparc64 （非官方移植版） | 25.1.0-1 | 1,444.5 kB | 9,759.0 kB | [文件列表] |
| x32 （非官方移植版） | 20.1.0-2 | 1,126.8 kB | 6,028.0 kB | [文件列表] |