[ 源代码： gpaw ]
软件包：gpaw（22.8.0-2 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: libc6 (>= 2.14) [amd64]
- 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 (>= 2.17) [arm64, ppc64el]
- dep: libc6 (>= 2.4) [除 amd64, arm64, ppc64el]
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- dep: libelpa19 (>= 2022.11.001)
- Eigenvalue SoLvers for Petaflop-Applications
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- dep: libfftw3-double3 (>= 3.3.10)
- Library for computing Fast Fourier Transforms - Double precision
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- dep: libopenmpi3 (>= 4.1.4)
- high performance message passing library -- shared library
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- dep: libscalapack-openmpi2.2 (>= 2.2.1)
- Scalable Linear Algebra Package - Shared libs for OpenMPI
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- dep: libxc9 (>= 5.0.0)
- Library of Exchange-Correlation Functionals
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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 (<< 3.12)
- dep: python3 (>= 3.11~)
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- dep: python3-ase (>= 3.22.1)
- Atomic Simulation Environment (Python 3)
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- dep: python3-numpy (>= 1:1.22.0)
- Fast array facility to the Python 3 language
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- dep: python3-numpy-abi9
- 本虚包由这些包填实： python3-numpy
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- dep: python3-scipy
- scientific tools for Python 3
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- dep: python3-yaml
- YAML parser and emitter for Python3
下载 gpaw
| 硬件架构 | 版本 | 软件包大小 | 安装后大小 | 文件 |
|---|---|---|---|---|
| amd64 | 22.8.0-2+b1 | 1,267.2 kB | 6,908.0 kB | [文件列表] |
| arm64 | 22.8.0-2+b1 | 1,249.7 kB | 6,888.0 kB | [文件列表] |
| armel | 22.8.0-2+b1 | 1,270.7 kB | 6,967.0 kB | [文件列表] |
| armhf | 22.8.0-2+b1 | 1,239.7 kB | 6,771.0 kB | [文件列表] |
| i386 | 22.8.0-2+b1 | 1,257.3 kB | 6,896.0 kB | [文件列表] |
| mips64el | 22.8.0-2+b1 | 1,253.5 kB | 6,899.0 kB | [文件列表] |
| mipsel | 22.8.0-2+b1 | 1,263.3 kB | 6,893.0 kB | [文件列表] |
| ppc64el | 22.8.0-2+b1 | 1,273.1 kB | 6,952.0 kB | [文件列表] |
| s390x | 22.8.0-2+b1 | 1,255.5 kB | 6,896.0 kB | [文件列表] |